AS-871/12413163
TL;DR: AS-871/12413163 (CAS 307327-46-4) is a chemical compound with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: AS-871/12413163, 2-[[5-(4-chlorophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, {[5-(4-chlorophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, {[5-(4-chlorophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid, 2-((5-(4-chlorophenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C14H14ClN3O2S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.04953 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 307327-46-4 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)Cl |
| InChIKey | JKEXTTVYBWHLQL-UHFFFAOYSA-N |
Product Overview
AS-871/12413163 (CAS 307327-46-4), with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of AS-871/12413163
Property Insights of AS-871/12413163
The XLogP value of 3.5 indicates that AS-871/12413163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/12413163. Following Lipinski's Rule of Five, AS-871/12413163 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 AS-871/12413163?
The CAS number of AS-871/12413163 is 307327-46-4.
What is the molecular formula of AS-871/12413163?
The molecular formula of AS-871/12413163 is C14H14ClN3O2S.
What is the molecular weight of AS-871/12413163?
The molecular weight of AS-871/12413163 is 323.05 g/mol.
Where can I buy AS-871/12413163?
You can request a quote for AS-871/12413163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/12413163?
Yes, KEHONG BIO provides custom synthesis services for AS-871/12413163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.