BAS 00692475
TL;DR: BAS 00692475 (CAS 331962-75-5) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[(E)-(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00692475, 6-Methyl-2-((4-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 6-Methyl-2-[(4-nitro-benzylidene)-amino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 4.40338 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 815.5994 |
Chemical Identifiers
| CAS Number | 331962-75-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00692475 (CAS 331962-75-5), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 6-methyl-2-[(E)-(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 00692475
Property Insights of BAS 00692475
The XLogP value of 4.40338 indicates that BAS 00692475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00692475. Following Lipinski's Rule of Five, BAS 00692475 has 0 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 BAS 00692475?
The CAS number of BAS 00692475 is 331962-75-5.
What is the molecular formula of BAS 00692475?
The molecular formula of BAS 00692475 is C17H15N3O2S.
What is the molecular weight of BAS 00692475?
The molecular weight of BAS 00692475 is 325.09 g/mol.
Where can I buy BAS 00692475?
You can request a quote for BAS 00692475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00692475?
Yes, KEHONG BIO provides custom synthesis services for BAS 00692475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.