![ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/5001/500112-47-0.webp)
ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate (CAS 500112-47-0) is a chemical compound with molecular formula C28H29N3O4S3 and molecular weight 567.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, F1142-5964, ethyl 2-(2-((5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[2-(5,6-dimethyl-4-oxo-3-phenyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylt hio)acetylamino]-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylate
| Molecular Formula | C28H29N3O4S3 |
|---|---|
| Molecular Weight | 567.13 g/mol |
| LogP | 6.30194 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 567.132 |
| Heavy Atoms | 38 |
| Complexity | 1569.9419 |
Chemical Identifiers
| CAS Number | 500112-47-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3C5=CC=CC=C5 |
Product Overview
ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate (CAS 500112-47-0), with molecular formula C28H29N3O4S3 and molecular weight 567.13 g/mol. IUPAC: ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 6.30194 indicates that ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate is 500112-47-0.
What is the molecular formula of ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate is C28H29N3O4S3.
What is the molecular weight of ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate is 567.13 g/mol.
Where can I buy ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.