A3612/0153121
TL;DR: A3612/0153121 (CAS 697229-48-4) is a chemical compound with molecular formula C27H27N5O4S and molecular weight 517.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A3612/0153121, N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-ACETAMIDO-2-METHOXYBENZYL)-2-{[5-(3-METHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-[5-(acetylamino)-2-methoxybenzyl]-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[5-(acetylamino)-2-methoxybenzyl]-2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetamide
| Molecular Formula | C27H27N5O4S |
|---|---|
| Molecular Weight | 517.18 g/mol |
| LogP | 4.3184 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.1784 |
| Heavy Atoms | 37 |
| Complexity | 1390.8242 |
Chemical Identifiers
| CAS Number | 697229-48-4 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC |
Product Overview
A3612/0153121 (CAS 697229-48-4), with molecular formula C27H27N5O4S and molecular weight 517.18 g/mol. IUPAC: N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of A3612/0153121
Property Insights of A3612/0153121
The XLogP value of 4.3184 indicates that A3612/0153121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for A3612/0153121. Following Lipinski's Rule of Five, A3612/0153121 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3612/0153121?
The CAS number of A3612/0153121 is 697229-48-4.
What is the molecular formula of A3612/0153121?
The molecular formula of A3612/0153121 is C27H27N5O4S.
What is the molecular weight of A3612/0153121?
The molecular weight of A3612/0153121 is 517.18 g/mol.
Where can I buy A3612/0153121?
You can request a quote for A3612/0153121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3612/0153121?
Yes, KEHONG BIO provides custom synthesis services for A3612/0153121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.