BAS 01313696
TL;DR: BAS 01313696 (CAS 351226-98-7) is a chemical compound with molecular formula C19H16ClN5OS and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01313696, N-(4-chlorophenyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(4-chlorophenyl)-2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(4-CHLOROPHENYL)-2-({5-ETHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C19H16ClN5OS |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 4.3836 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.07642 |
| Heavy Atoms | 27 |
| Complexity | 1126.3206 |
Chemical Identifiers
| CAS Number | 351226-98-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
BAS 01313696 (CAS 351226-98-7), with molecular formula C19H16ClN5OS and molecular weight 397.08 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 01313696
Property Insights of BAS 01313696
The XLogP value of 4.3836 indicates that BAS 01313696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313696. Following Lipinski's Rule of Five, BAS 01313696 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 BAS 01313696?
The CAS number of BAS 01313696 is 351226-98-7.
What is the molecular formula of BAS 01313696?
The molecular formula of BAS 01313696 is C19H16ClN5OS.
What is the molecular weight of BAS 01313696?
The molecular weight of BAS 01313696 is 397.08 g/mol.
Where can I buy BAS 01313696?
You can request a quote for BAS 01313696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313696?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.