A4080/0173900
TL;DR: A4080/0173900 (CAS 893763-77-4) is a chemical compound with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-acetamidophenyl)methyl]-2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A4080/0173900, N-[(4-acetamidophenyl)methyl]-2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-({5-[(2H-1,3-BENZODIOXOL-5-YLOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-[(4-ACETAMIDOPHENYL)METHYL]ACETAMIDE, N-[4-(acetylamino)benzyl]-2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[4-(acetylamino)benzyl]-2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide
| Molecular Formula | C22H23N5O5S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 2.4897 |
| Topological Polar Surface Area | 116.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.142 |
| Heavy Atoms | 33 |
| Complexity | 1148.5784 |
Chemical Identifiers
| CAS Number | 893763-77-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C)COC3=CC4=C(C=C3)OCO4 |
Product Overview
A4080/0173900 (CAS 893763-77-4), with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol. IUPAC: N-[(4-acetamidophenyl)methyl]-2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of A4080/0173900
Property Insights of A4080/0173900
The XLogP value of 2.4897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4080/0173900. The TPSA of 116.6 Ų falls within the moderate polarity range, balancing permeability and solubility for A4080/0173900. Following Lipinski's Rule of Five, A4080/0173900 has 2 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 A4080/0173900?
The CAS number of A4080/0173900 is 893763-77-4.
What is the molecular formula of A4080/0173900?
The molecular formula of A4080/0173900 is C22H23N5O5S.
What is the molecular weight of A4080/0173900?
The molecular weight of A4080/0173900 is 469.14 g/mol.
Where can I buy A4080/0173900?
You can request a quote for A4080/0173900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4080/0173900?
Yes, KEHONG BIO provides custom synthesis services for A4080/0173900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.