BAS 02729547
TL;DR: BAS 02729547 (CAS 335209-18-2) is a chemical compound with molecular formula C20H18ClN5OS and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02729547, N-(4-chlorophenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(4-chlorophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(4-chlorophenyl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide, N-(4-CHLOROPHENYL)-2-({5-PROPYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C20H18ClN5OS |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 4.7737 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.09207 |
| Heavy Atoms | 28 |
| Complexity | 1142.7216 |
Chemical Identifiers
| CAS Number | 335209-18-2 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
BAS 02729547 (CAS 335209-18-2), with molecular formula C20H18ClN5OS and molecular weight 411.09 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02729547
Property Insights of BAS 02729547
The XLogP value of 4.7737 indicates that BAS 02729547 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 02729547. Following Lipinski's Rule of Five, BAS 02729547 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 02729547?
The CAS number of BAS 02729547 is 335209-18-2.
What is the molecular formula of BAS 02729547?
The molecular formula of BAS 02729547 is C20H18ClN5OS.
What is the molecular weight of BAS 02729547?
The molecular weight of BAS 02729547 is 411.09 g/mol.
Where can I buy BAS 02729547?
You can request a quote for BAS 02729547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02729547?
Yes, KEHONG BIO provides custom synthesis services for BAS 02729547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.