AB00709607-01
TL;DR: AB00709607-01 (CAS 397291-14-4) is a chemical compound with molecular formula C21H22N4O and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Also Known As: AB00709607-01, 2-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide, N-(4-(5H,6H,7H,8H,9H-1,2,4-triazolo[4,5-a]azaperhydroepin-3-yl)phenyl)(2-methy lphenyl)carboxamide
| Molecular Formula | C21H22N4O |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 4.23222 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.17935 |
| Heavy Atoms | 26 |
| Complexity | 927.4391 |
Chemical Identifiers
| CAS Number | 397291-14-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4 |
Product Overview
AB00709607-01 (CAS 397291-14-4), with molecular formula C21H22N4O and molecular weight 346.18 g/mol. IUPAC: 2-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide.
Chemical Property Profile of AB00709607-01
Property Insights of AB00709607-01
The XLogP value of 4.23222 indicates that AB00709607-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00709607-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00709607-01 has 1 hydrogen bond donor(s) and 3 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 AB00709607-01?
The CAS number of AB00709607-01 is 397291-14-4.
What is the molecular formula of AB00709607-01?
The molecular formula of AB00709607-01 is C21H22N4O.
What is the molecular weight of AB00709607-01?
The molecular weight of AB00709607-01 is 346.18 g/mol.
Where can I buy AB00709607-01?
You can request a quote for AB00709607-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00709607-01?
Yes, KEHONG BIO provides custom synthesis services for AB00709607-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.