AB00685052-01
TL;DR: AB00685052-01 (CAS 863501-00-2) is a chemical compound with molecular formula C20H17N5O3S and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
Also Known As: AB00685052-01, F0682-1231, 1-(4-methoxyphenyl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone, 1-(4-methoxyphenyl)-2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one, 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
| Molecular Formula | C20H17N5O3S |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 3.2027 |
| Topological Polar Surface Area | 92.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.10522 |
| Heavy Atoms | 29 |
| Complexity | 1143.2203 |
Chemical Identifiers
| CAS Number | 863501-00-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)OC |
Product Overview
AB00685052-01 (CAS 863501-00-2), with molecular formula C20H17N5O3S and molecular weight 407.11 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone.
Chemical Property Profile of AB00685052-01
Property Insights of AB00685052-01
The XLogP value of 3.2027 indicates that AB00685052-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685052-01. Following Lipinski's Rule of Five, AB00685052-01 has 0 hydrogen bond donor(s) and 8 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 AB00685052-01?
The CAS number of AB00685052-01 is 863501-00-2.
What is the molecular formula of AB00685052-01?
The molecular formula of AB00685052-01 is C20H17N5O3S.
What is the molecular weight of AB00685052-01?
The molecular weight of AB00685052-01 is 407.11 g/mol.
Where can I buy AB00685052-01?
You can request a quote for AB00685052-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685052-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685052-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.