ChemDiv3_003943
TL;DR: ChemDiv3_003943 (CAS 527692-83-7) is a chemical compound with molecular formula C20H20N6OS2 and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide
Also Known As: ChemDiv3_003943, IDI1_021853, BRD-A76929029-001-01-1, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]butanamide
| Molecular Formula | C20H20N6OS2 |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 3.98368 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.114 |
| Heavy Atoms | 29 |
| Complexity | 1052.8585 |
Chemical Identifiers
| CAS Number | 527692-83-7 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NN=NN3C4=CC=CC=C4 |
Product Overview
ChemDiv3_003943 (CAS 527692-83-7), with molecular formula C20H20N6OS2 and molecular weight 424.11 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide.
Chemical Property Profile of ChemDiv3_003943
Property Insights of ChemDiv3_003943
The XLogP value of 3.98368 indicates that ChemDiv3_003943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003943. Following Lipinski's Rule of Five, ChemDiv3_003943 has 1 hydrogen bond donor(s) and 7 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 ChemDiv3_003943?
The CAS number of ChemDiv3_003943 is 527692-83-7.
What is the molecular formula of ChemDiv3_003943?
The molecular formula of ChemDiv3_003943 is C20H20N6OS2.
What is the molecular weight of ChemDiv3_003943?
The molecular weight of ChemDiv3_003943 is 424.11 g/mol.
Where can I buy ChemDiv3_003943?
You can request a quote for ChemDiv3_003943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003943?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.