A2494/0106057
TL;DR: A2494/0106057 (CAS 381677-82-3) is a chemical compound with molecular formula C20H20N4O and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]iminomethyl]phenol
Also Known As: A2494/0106057, 2-[[[2-(6,7,8,9-Tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)phenyl]imino]methyl]phenol, 2-[[2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-phenylimino]methyl]phenol, 2-({[2-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)PHENYL]IMINO}METHYL)PHENOL, (6E)-6-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C20H20N4O |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.1637 |
| Heavy Atoms | 25 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 381677-82-3 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)C3=CC=CC=C3N=CC4=CC=CC=C4O |
| InChIKey | VDOOATFLVHFHGU-UHFFFAOYSA-N |
Product Overview
A2494/0106057 (CAS 381677-82-3), with molecular formula C20H20N4O and molecular weight 332.16 g/mol. IUPAC: 2-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]iminomethyl]phenol.
Chemical Property Profile of A2494/0106057
Property Insights of A2494/0106057
The XLogP value of 3.1 indicates that A2494/0106057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A2494/0106057. Following Lipinski's Rule of Five, A2494/0106057 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 A2494/0106057?
The CAS number of A2494/0106057 is 381677-82-3.
What is the molecular formula of A2494/0106057?
The molecular formula of A2494/0106057 is C20H20N4O.
What is the molecular weight of A2494/0106057?
The molecular weight of A2494/0106057 is 332.16 g/mol.
Where can I buy A2494/0106057?
You can request a quote for A2494/0106057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2494/0106057?
Yes, KEHONG BIO provides custom synthesis services for A2494/0106057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.