AB00673398-01
TL;DR: AB00673398-01 (CAS 683766-40-7) is a chemical compound with molecular formula C23H27N3O3S2 and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
Also Known As: AB00673398-01, F1122-1139, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-((2-methylpiperidin-1-yl)sulfonyl)benzamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
| Molecular Formula | C23H27N3O3S2 |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 4.70408 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.14938 |
| Heavy Atoms | 31 |
| Complexity | 1114.1709 |
Chemical Identifiers
| CAS Number | 683766-40-7 |
|---|---|
| SMILES | CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCCC4)C#N |
Product Overview
AB00673398-01 (CAS 683766-40-7), with molecular formula C23H27N3O3S2 and molecular weight 457.15 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
Chemical Property Profile of AB00673398-01
Property Insights of AB00673398-01
The XLogP value of 4.70408 indicates that AB00673398-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673398-01. Following Lipinski's Rule of Five, AB00673398-01 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 AB00673398-01?
The CAS number of AB00673398-01 is 683766-40-7.
What is the molecular formula of AB00673398-01?
The molecular formula of AB00673398-01 is C23H27N3O3S2.
What is the molecular weight of AB00673398-01?
The molecular weight of AB00673398-01 is 457.15 g/mol.
Where can I buy AB00673398-01?
You can request a quote for AB00673398-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673398-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673398-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.