BAS 01313726
TL;DR: BAS 01313726 (CAS 337489-59-5) is a chemical compound with molecular formula C20H16ClN5OS and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01313726, N-(4-chlorophenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, 2-[(5-ALLYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL)SULFANYL]-N~1~-(4-CHLOROPHENYL)ACETAMIDE, N-(4-chlorophenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide, Cambridge id 5914335
| Molecular Formula | C20H16ClN5OS |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 4.5497 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.07642 |
| Heavy Atoms | 28 |
| Complexity | 1172.6256 |
Chemical Identifiers
| CAS Number | 337489-59-5 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
BAS 01313726 (CAS 337489-59-5), with molecular formula C20H16ClN5OS and molecular weight 409.08 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 01313726
Property Insights of BAS 01313726
The XLogP value of 4.5497 indicates that BAS 01313726 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 01313726. Following Lipinski's Rule of Five, BAS 01313726 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 01313726?
The CAS number of BAS 01313726 is 337489-59-5.
What is the molecular formula of BAS 01313726?
The molecular formula of BAS 01313726 is C20H16ClN5OS.
What is the molecular weight of BAS 01313726?
The molecular weight of BAS 01313726 is 409.08 g/mol.
Where can I buy BAS 01313726?
You can request a quote for BAS 01313726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313726?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.