![1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea structure](/static/products/351/351162-76-0.png)
1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea
TL;DR: 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea (CAS 351162-76-0) is a chemical compound with molecular formula C14H18N4OS2 and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)urea
Also Known As: 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea, 1-[2-(ethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl]urea, amino-N-(2-ethylthio(5,6,7,8,9-pentahydrocyclohepta[1,2-d]pyrimidino[4,5-b]thi ophen-4-yl))amide
| Molecular Formula | C14H18N4OS2 |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 3.5628 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0922 |
| Heavy Atoms | 21 |
| Complexity | 683.1541 |
Chemical Identifiers
| CAS Number | 351162-76-0 |
|---|---|
| SMILES | CCSC1=NC(=C2C3=C(CCCCC3)SC2=N1)NC(=O)N |
Product Overview
1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea (CAS 351162-76-0), with molecular formula C14H18N4OS2 and molecular weight 322.09 g/mol. IUPAC: (5-ethylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)urea.
Chemical Property Profile of 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea
Property Insights of 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea
The XLogP value of 3.5628 indicates that 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea. Following Lipinski's Rule of Five, 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea has 2 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 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea?
The CAS number of 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea is 351162-76-0.
What is the molecular formula of 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea?
The molecular formula of 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea is C14H18N4OS2.
What is the molecular weight of 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea?
The molecular weight of 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea is 322.09 g/mol.
Where can I buy 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea?
You can request a quote for 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(ethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.