AB01278629-01
TL;DR: AB01278629-01 (CAS 896302-95-7) is a chemical compound with molecular formula C23H23N5OS and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
Also Known As: AB01278629-01, 2-((5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dimethylphenyl)acetamide, F2563-0611, 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide, 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
| Molecular Formula | C23H23N5OS |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.32944 |
| Topological Polar Surface Area | 64.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.16232 |
| Heavy Atoms | 30 |
| Complexity | 1135.8821 |
Chemical Identifiers
| CAS Number | 896302-95-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4)C |
Product Overview
AB01278629-01 (CAS 896302-95-7), with molecular formula C23H23N5OS and molecular weight 417.16 g/mol. IUPAC: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
Chemical Property Profile of AB01278629-01
Property Insights of AB01278629-01
The XLogP value of 4.32944 indicates that AB01278629-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01278629-01. Following Lipinski's Rule of Five, AB01278629-01 has 1 hydrogen bond donor(s) and 4 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 AB01278629-01?
The CAS number of AB01278629-01 is 896302-95-7.
What is the molecular formula of AB01278629-01?
The molecular formula of AB01278629-01 is C23H23N5OS.
What is the molecular weight of AB01278629-01?
The molecular weight of AB01278629-01 is 417.16 g/mol.
Where can I buy AB01278629-01?
You can request a quote for AB01278629-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01278629-01?
Yes, KEHONG BIO provides custom synthesis services for AB01278629-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.