VU0421989-2
TL;DR: VU0421989-2 (CAS 98987-10-1) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
Also Known As: VU0421989-2, Ethyl 2,3,4,5-tetrahydro-2-methyl-4-oxo-1H-1,5-benzodiazepine-1-carboxylate, ethyl 2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate, 1H-1,5-Benzodiazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-oxo-, ethyl ester, ethyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.3802 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 473.05908 |
Chemical Identifiers
| CAS Number | 98987-10-1 |
|---|---|
| SMILES | CCOC(=O)N1C(CC(=O)NC2=CC=CC=C21)C |
Product Overview
VU0421989-2 (CAS 98987-10-1), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: ethyl 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate.
Chemical Property Profile of VU0421989-2
Property Insights of VU0421989-2
The XLogP value of 2.3802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0421989-2. With a topological polar surface area (TPSA) of 58.64 Ų, VU0421989-2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0421989-2 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 VU0421989-2?
The CAS number of VU0421989-2 is 98987-10-1.
What is the molecular formula of VU0421989-2?
The molecular formula of VU0421989-2 is C13H16N2O3.
What is the molecular weight of VU0421989-2?
The molecular weight of VU0421989-2 is 248.12 g/mol.
Where can I buy VU0421989-2?
You can request a quote for VU0421989-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0421989-2?
Yes, KEHONG BIO provides custom synthesis services for VU0421989-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.