AB00676186-01
TL;DR: AB00676186-01 (CAS 868229-47-4) is a chemical compound with molecular formula C17H18N6O3S and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: AB00676186-01, F1812-0041, 2-((4-methyl-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-nitrophenyl)acetamide, 2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide, 2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
| Molecular Formula | C17H18N6O3S |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 2.3834 |
| Topological Polar Surface Area | 107.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.11612 |
| Heavy Atoms | 27 |
| Complexity | 980.7165 |
Chemical Identifiers
| CAS Number | 868229-47-4 |
|---|---|
| SMILES | CN1C=CC=C1CC2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
AB00676186-01 (CAS 868229-47-4), with molecular formula C17H18N6O3S and molecular weight 386.12 g/mol. IUPAC: 2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of AB00676186-01
Property Insights of AB00676186-01
The XLogP value of 2.3834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00676186-01. The TPSA of 107.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676186-01. Following Lipinski's Rule of Five, AB00676186-01 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 AB00676186-01?
The CAS number of AB00676186-01 is 868229-47-4.
What is the molecular formula of AB00676186-01?
The molecular formula of AB00676186-01 is C17H18N6O3S.
What is the molecular weight of AB00676186-01?
The molecular weight of AB00676186-01 is 386.12 g/mol.
Where can I buy AB00676186-01?
You can request a quote for AB00676186-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676186-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676186-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.