![2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide structure](/static/products/461/461436-32-8.png)
2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide
TL;DR: 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide (CAS 461436-32-8) is a chemical compound with molecular formula C18H16ClN3OS and molecular weight 357.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)benzamide
Also Known As: 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide, 2-CHLORO-N-{8-THIA-4,6-DIAZATRICYCLO[7.5.0.0(2),?]TETRADECA-1(9),2,4,6-TETRAEN-3-YL}BENZAMIDE, 2-CHLORO-N~1~-(6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-YL)BENZAMIDE
| Molecular Formula | C18H16ClN3OS |
|---|---|
| Molecular Weight | 357.07 g/mol |
| LogP | 4.8659 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.07025 |
| Heavy Atoms | 24 |
| Complexity | 921.76794 |
Chemical Identifiers
| CAS Number | 461436-32-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=NC=NC(=C23)NC(=O)C4=CC=CC=C4Cl |
Product Overview
2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide (CAS 461436-32-8), with molecular formula C18H16ClN3OS and molecular weight 357.07 g/mol. IUPAC: 2-chloro-N-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)benzamide.
Chemical Property Profile of 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide
Property Insights of 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide
The XLogP value of 4.8659 indicates that 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide has 1 hydrogen bond donor(s) and 4 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 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide?
The CAS number of 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide is 461436-32-8.
What is the molecular formula of 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide?
The molecular formula of 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide is C18H16ClN3OS.
What is the molecular weight of 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide?
The molecular weight of 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide is 357.07 g/mol.
Where can I buy 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide?
You can request a quote for 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.