AB00717340-01
TL;DR: AB00717340-01 (CAS 730246-32-9) is a chemical compound with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate
Also Known As: AB00717340-01, [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate, [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate, 2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl 4-(2-cyanoacetamido)benzoate
| Molecular Formula | C22H27N3O4 |
|---|---|
| Molecular Weight | 397.20 g/mol |
| LogP | 3.12278 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.20016 |
| Heavy Atoms | 29 |
| Complexity | 855.8035 |
Chemical Identifiers
| CAS Number | 730246-32-9 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C)C |
Product Overview
AB00717340-01 (CAS 730246-32-9), with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol. IUPAC: [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate.
Chemical Property Profile of AB00717340-01
Property Insights of AB00717340-01
The XLogP value of 3.12278 indicates that AB00717340-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00717340-01. Following Lipinski's Rule of Five, AB00717340-01 has 1 hydrogen bond donor(s) and 5 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 AB00717340-01?
The CAS number of AB00717340-01 is 730246-32-9.
What is the molecular formula of AB00717340-01?
The molecular formula of AB00717340-01 is C22H27N3O4.
What is the molecular weight of AB00717340-01?
The molecular weight of AB00717340-01 is 397.20 g/mol.
Where can I buy AB00717340-01?
You can request a quote for AB00717340-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00717340-01?
Yes, KEHONG BIO provides custom synthesis services for AB00717340-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.