NCIOpen2_002485
TL;DR: NCIOpen2_002485 (CAS 7597-41-3) is a chemical compound with molecular formula C14H13N2O3P and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-2-phenyl-1,3-dihydro-1,3,2λ5-benzodiazaphosphole-5-carboxylate
Also Known As: NCIOpen2_002485, methyl 8-oxo-8-phenyl-7,9-diaza-8, methyl 2-oxo-2-phenyl-1,3-dihydro-1,3,2, methyl 2-oxo-2-phenyl-1,3-dihydro-1,3,2lambda5-benzodiazaphosphol, methyl 2-oxo-2-phenyl-1,3-dihydro-1,3,2
| Molecular Formula | C14H13N2O3P |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.06638 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 7597-41-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)NP(=O)(N2)C3=CC=CC=C3 |
| InChIKey | MMEPYFGCZQJJHM-UHFFFAOYSA-N |
Product Overview
NCIOpen2_002485 (CAS 7597-41-3), with molecular formula C14H13N2O3P and molecular weight 288.07 g/mol. IUPAC: methyl 2-oxo-2-phenyl-1,3-dihydro-1,3,2λ5-benzodiazaphosphole-5-carboxylate.
Chemical Property Profile of NCIOpen2_002485
Property Insights of NCIOpen2_002485
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_002485. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_002485. Following Lipinski's Rule of Five, NCIOpen2_002485 has 2 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 NCIOpen2_002485?
The CAS number of NCIOpen2_002485 is 7597-41-3.
What is the molecular formula of NCIOpen2_002485?
The molecular formula of NCIOpen2_002485 is C14H13N2O3P.
What is the molecular weight of NCIOpen2_002485?
The molecular weight of NCIOpen2_002485 is 288.07 g/mol.
Where can I buy NCIOpen2_002485?
You can request a quote for NCIOpen2_002485 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_002485?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_002485 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.