ASN 12972676
TL;DR: ASN 12972676 (CAS 878735-36-5) is a chemical compound with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
Also Known As: ASN 12972676, VU0509827-1, N-(5-benzyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, F3126-1358, N-(5-benzyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.88392 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 1119.7012 |
Chemical Identifiers
| CAS Number | 878735-36-5 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)OC)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4 |
Product Overview
ASN 12972676 (CAS 878735-36-5), with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol. IUPAC: N-(5-benzyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
Chemical Property Profile of ASN 12972676
Property Insights of ASN 12972676
The XLogP value of 3.88392 indicates that ASN 12972676 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12972676. Following Lipinski's Rule of Five, ASN 12972676 has 1 hydrogen bond donor(s) and 6 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 ASN 12972676?
The CAS number of ASN 12972676 is 878735-36-5.
What is the molecular formula of ASN 12972676?
The molecular formula of ASN 12972676 is C21H19N5O2S.
What is the molecular weight of ASN 12972676?
The molecular weight of ASN 12972676 is 405.13 g/mol.
Where can I buy ASN 12972676?
You can request a quote for ASN 12972676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12972676?
Yes, KEHONG BIO provides custom synthesis services for ASN 12972676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.