BAS 02729546
TL;DR: BAS 02729546 (CAS 335209-17-1) is a chemical compound with molecular formula C20H18N6O3S and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02729546, N-(4-nitrophenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(4-nitrophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-{4-nitrophenyl}-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(4-NITROPHENYL)-2-({5-PROPYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C20H18N6O3S |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 4.0285 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.11612 |
| Heavy Atoms | 30 |
| Complexity | 1238.7466 |
Chemical Identifiers
| CAS Number | 335209-17-1 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 02729546 (CAS 335209-17-1), with molecular formula C20H18N6O3S and molecular weight 422.12 g/mol. IUPAC: N-(4-nitrophenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02729546
Property Insights of BAS 02729546
The XLogP value of 4.0285 indicates that BAS 02729546 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 02729546. Following Lipinski's Rule of Five, BAS 02729546 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 02729546?
The CAS number of BAS 02729546 is 335209-17-1.
What is the molecular formula of BAS 02729546?
The molecular formula of BAS 02729546 is C20H18N6O3S.
What is the molecular weight of BAS 02729546?
The molecular weight of BAS 02729546 is 422.12 g/mol.
Where can I buy BAS 02729546?
You can request a quote for BAS 02729546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02729546?
Yes, KEHONG BIO provides custom synthesis services for BAS 02729546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.