A3540/0150031
TL;DR: A3540/0150031 (CAS 1212092-77-7) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: A3540/0150031, 1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 4-OXO-3-(1-PHENYLETHYL)-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXYLIC ACID
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 1.6142 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 670.49634 |
Chemical Identifiers
| CAS Number | 1212092-77-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O |
Product Overview
A3540/0150031 (CAS 1212092-77-7), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of A3540/0150031
Property Insights of A3540/0150031
The XLogP value of 1.6142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3540/0150031. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3540/0150031. Following Lipinski's Rule of Five, A3540/0150031 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 A3540/0150031?
The CAS number of A3540/0150031 is 1212092-77-7.
What is the molecular formula of A3540/0150031?
The molecular formula of A3540/0150031 is C17H17NO4.
What is the molecular weight of A3540/0150031?
The molecular weight of A3540/0150031 is 299.12 g/mol.
Where can I buy A3540/0150031?
You can request a quote for A3540/0150031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3540/0150031?
Yes, KEHONG BIO provides custom synthesis services for A3540/0150031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.