![isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate structure](/static/products/6253/625372-00-1.webp)
isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
TL;DR: isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate (CAS 625372-00-1) is a chemical compound with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxylate
Also Known As: isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate, propan-2-yl 6-amino-4-thia-2-azatricyclo[7.5.0.0^{3,7}]tetradeca-1,3(7),5,8-tetraene-5-carboxylate, methylethyl 3-amino-5,6,7,8,9-pentahydrocyclohepta[2,1-b]thiopheno[4,5-e]pyrid ine-2-carboxylate, propan-2-yl 6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxylate, propan-2-yl6-amino-4-thia-2-azatricyclo[7.5.0.0^{3,7}]tetradeca-1,3(7),5,8-tetraene-5-carboxylate
| Molecular Formula | C16H20N2O2S |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.7126 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.12454 |
| Heavy Atoms | 21 |
| Complexity | 691.1321 |
Chemical Identifiers
| CAS Number | 625372-00-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C2=C(S1)N=C3CCCCCC3=C2)N |
Product Overview
isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate (CAS 625372-00-1), with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol. IUPAC: propan-2-yl 6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxylate.
Chemical Property Profile of isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
Property Insights of isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
The XLogP value of 3.7126 indicates that isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate. Following Lipinski's Rule of Five, isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate?
The CAS number of isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate is 625372-00-1.
What is the molecular formula of isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate?
The molecular formula of isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate is C16H20N2O2S.
What is the molecular weight of isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate?
The molecular weight of isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate is 304.12 g/mol.
Where can I buy isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate?
You can request a quote for isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.