AB00672180-01
TL;DR: AB00672180-01 (CAS 863460-65-5) is a chemical compound with molecular formula C19H14FN5O2S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
Also Known As: AB00672180-01, F0682-0895, 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-methoxyphenyl)ethanone, 2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(4-methoxyphenyl)ethanone, 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
| Molecular Formula | C19H14FN5O2S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 3.3332 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.08524 |
| Heavy Atoms | 28 |
| Complexity | 1129.4952 |
Chemical Identifiers
| CAS Number | 863460-65-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F |
Product Overview
AB00672180-01 (CAS 863460-65-5), with molecular formula C19H14FN5O2S and molecular weight 395.09 g/mol. IUPAC: 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of AB00672180-01
Property Insights of AB00672180-01
The XLogP value of 3.3332 indicates that AB00672180-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672180-01. Following Lipinski's Rule of Five, AB00672180-01 has 0 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 AB00672180-01?
The CAS number of AB00672180-01 is 863460-65-5.
What is the molecular formula of AB00672180-01?
The molecular formula of AB00672180-01 is C19H14FN5O2S.
What is the molecular weight of AB00672180-01?
The molecular weight of AB00672180-01 is 395.09 g/mol.
Where can I buy AB00672180-01?
You can request a quote for AB00672180-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672180-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672180-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.