BAS 01313727
TL;DR: BAS 01313727 (CAS 330555-44-7) is a chemical compound with molecular formula C20H16N6O3S and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01313727, N-(4-nitrophenyl)-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-NITROPHENYL)ACETAMIDE, N-(4-nitrophenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H16N6O3S |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 3.8045 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.10046 |
| Heavy Atoms | 30 |
| Complexity | 1269.0128 |
Chemical Identifiers
| CAS Number | 330555-44-7 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 01313727 (CAS 330555-44-7), with molecular formula C20H16N6O3S and molecular weight 420.10 g/mol. IUPAC: N-(4-nitrophenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 01313727
Property Insights of BAS 01313727
The XLogP value of 3.8045 indicates that BAS 01313727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313727. Following Lipinski's Rule of Five, BAS 01313727 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 BAS 01313727?
The CAS number of BAS 01313727 is 330555-44-7.
What is the molecular formula of BAS 01313727?
The molecular formula of BAS 01313727 is C20H16N6O3S.
What is the molecular weight of BAS 01313727?
The molecular weight of BAS 01313727 is 420.10 g/mol.
Where can I buy BAS 01313727?
You can request a quote for BAS 01313727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313727?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.