AB00742445-01
TL;DR: AB00742445-01 (CAS 876867-08-2) is a chemical compound with molecular formula C20H17F2N5O2S and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Also Known As: AB00742445-01, F3411-6860, N-(2,4-difluorophenyl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide, N-(2,4-difluorophenyl)-2-((5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetamide, N-(2,4-difluorophenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
| Molecular Formula | C20H17F2N5O2S |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 3.4632 |
| Topological Polar Surface Area | 81.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.10712 |
| Heavy Atoms | 30 |
| Complexity | 1318.0352 |
Chemical Identifiers
| CAS Number | 876867-08-2 |
|---|---|
| SMILES | CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=C(C=C(C=C4)F)F |
Product Overview
AB00742445-01 (CAS 876867-08-2), with molecular formula C20H17F2N5O2S and molecular weight 429.11 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00742445-01
Property Insights of AB00742445-01
The XLogP value of 3.4632 indicates that AB00742445-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00742445-01. Following Lipinski's Rule of Five, AB00742445-01 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 AB00742445-01?
The CAS number of AB00742445-01 is 876867-08-2.
What is the molecular formula of AB00742445-01?
The molecular formula of AB00742445-01 is C20H17F2N5O2S.
What is the molecular weight of AB00742445-01?
The molecular weight of AB00742445-01 is 429.11 g/mol.
Where can I buy AB00742445-01?
You can request a quote for AB00742445-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00742445-01?
Yes, KEHONG BIO provides custom synthesis services for AB00742445-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.