AF-399/41668482
TL;DR: AF-399/41668482 (CAS 496776-49-9) is a chemical compound with molecular formula C15H13N3O3S2 and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: AF-399/41668482, 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, {[4-(4-methoxyphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, {[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-((4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C15H13N3O3S2 |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.03983 |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 496776-49-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3 |
| InChIKey | OOKJBOMIRRNBRO-UHFFFAOYSA-N |
Product Overview
AF-399/41668482 (CAS 496776-49-9), with molecular formula C15H13N3O3S2 and molecular weight 347.04 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of AF-399/41668482
Property Insights of AF-399/41668482
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41668482. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41668482. Following Lipinski's Rule of Five, AF-399/41668482 has 1 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 AF-399/41668482?
The CAS number of AF-399/41668482 is 496776-49-9.
What is the molecular formula of AF-399/41668482?
The molecular formula of AF-399/41668482 is C15H13N3O3S2.
What is the molecular weight of AF-399/41668482?
The molecular weight of AF-399/41668482 is 347.04 g/mol.
Where can I buy AF-399/41668482?
You can request a quote for AF-399/41668482 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41668482?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41668482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.