BAS 07020595
TL;DR: BAS 07020595 (CAS 695172-20-4) is a chemical compound with molecular formula C16H21ClFN5OS and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[[4-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 07020595, AN-465/41990751, N-(tert-butyl)-2-({4-[(2-chloro-6-fluorobenzyl)amino]-5-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-tert-butyl-2-[[4-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(tert-butyl)-2-(4-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl(1,2,4-tr iazol-3-ylthio))acetamide
| Molecular Formula | C16H21ClFN5OS |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 3.12952 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.11392 |
| Heavy Atoms | 25 |
| Complexity | 739.21875 |
Chemical Identifiers
| CAS Number | 695172-20-4 |
|---|---|
| SMILES | CC1=NN=C(N1NCC2=C(C=CC=C2Cl)F)SCC(=O)NC(C)(C)C |
Product Overview
BAS 07020595 (CAS 695172-20-4), with molecular formula C16H21ClFN5OS and molecular weight 385.11 g/mol. IUPAC: N-tert-butyl-2-[[4-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 07020595
Property Insights of BAS 07020595
The XLogP value of 3.12952 indicates that BAS 07020595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07020595. Following Lipinski's Rule of Five, BAS 07020595 has 2 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 07020595?
The CAS number of BAS 07020595 is 695172-20-4.
What is the molecular formula of BAS 07020595?
The molecular formula of BAS 07020595 is C16H21ClFN5OS.
What is the molecular weight of BAS 07020595?
The molecular weight of BAS 07020595 is 385.11 g/mol.
Where can I buy BAS 07020595?
You can request a quote for BAS 07020595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07020595?
Yes, KEHONG BIO provides custom synthesis services for BAS 07020595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.