BAS 02104737
TL;DR: BAS 02104737 (CAS 425625-54-3) is a chemical compound with molecular formula C21H21ClN6OS and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-pyridinyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Also Known As: BAS 02104737, BIM-0005354.P001, N-(5-chloropyridin-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide, N-(5-chloropyridin-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
| Molecular Formula | C21H21ClN6OS |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 4.9473 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.11862 |
| Heavy Atoms | 30 |
| Complexity | 1193.5245 |
Chemical Identifiers
| CAS Number | 425625-54-3 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SC(CC)C(=O)NC4=NC=C(C=C4)Cl |
Product Overview
BAS 02104737 (CAS 425625-54-3), with molecular formula C21H21ClN6OS and molecular weight 440.12 g/mol. IUPAC: N-(5-chloro-2-pyridinyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide.
Chemical Property Profile of BAS 02104737
Property Insights of BAS 02104737
The XLogP value of 4.9473 indicates that BAS 02104737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02104737. Following Lipinski's Rule of Five, BAS 02104737 has 1 hydrogen bond donor(s) and 6 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 02104737?
The CAS number of BAS 02104737 is 425625-54-3.
What is the molecular formula of BAS 02104737?
The molecular formula of BAS 02104737 is C21H21ClN6OS.
What is the molecular weight of BAS 02104737?
The molecular weight of BAS 02104737 is 440.12 g/mol.
Where can I buy BAS 02104737?
You can request a quote for BAS 02104737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02104737?
Yes, KEHONG BIO provides custom synthesis services for BAS 02104737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.