1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester
TL;DR: 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester (CAS 144401-01-4) is a chemical compound with molecular formula C28H28N2O3 and molecular weight 440.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-phenyl-5-(3-phenylprop-2-enoyl)-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate
Also Known As: 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propentyl)-4-phenyl-, ethyl ester
| Molecular Formula | C28H28N2O3 |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 5.6117 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.21 |
| Heavy Atoms | 33 |
| Complexity | 1144.0737 |
Chemical Identifiers
| CAS Number | 144401-01-4 |
|---|---|
| SMILES | CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4)C |
Product Overview
1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester (CAS 144401-01-4), with molecular formula C28H28N2O3 and molecular weight 440.21 g/mol. IUPAC: ethyl 2-methyl-4-phenyl-5-(3-phenylprop-2-enoyl)-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate.
Chemical Property Profile of 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester
Property Insights of 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester
The XLogP value of 5.6117 indicates that 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester?
The CAS number of 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester is 144401-01-4.
What is the molecular formula of 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester is C28H28N2O3.
What is the molecular weight of 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester is 440.21 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester?
You can request a quote for 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-,ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.