1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester
TL;DR: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester (CAS 121635-60-7) is a chemical compound with molecular formula C19H27N3O4 and molecular weight 361.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-5-(2-morpholin-4-ylacetyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate
Also Known As: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester, ethyl 4-methyl-5-(2-morpholin-4-ylacetyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate, 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-4-methyl-5-[2-(4-morpholinyl)acetyl]-, ethyl ester, 1H-1,5-Benzodiazepine-2-carboxylicacid,5-benzoyl-2,3,4,5-tetrahydro-4-methyl-,ethyl ester, Ethyl 4-methyl-5-[(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate
| Molecular Formula | C19H27N3O4 |
|---|---|
| Molecular Weight | 361.20 g/mol |
| LogP | 1.4876 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.20016 |
| Heavy Atoms | 26 |
| Complexity | 645.42633 |
Chemical Identifiers
| CAS Number | 121635-60-7 |
|---|---|
| SMILES | CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)CN3CCOCC3)C |
Product Overview
1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester (CAS 121635-60-7), with molecular formula C19H27N3O4 and molecular weight 361.20 g/mol. IUPAC: ethyl 4-methyl-5-(2-morpholin-4-ylacetyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate.
Chemical Property Profile of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester
Property Insights of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester
The XLogP value of 1.4876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester has 1 hydrogen bond donor(s) and 6 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 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester?
The CAS number of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester is 121635-60-7.
What is the molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester is C19H27N3O4.
What is the molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester is 361.20 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester?
You can request a quote for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,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-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(4-morpholinylacetyl)-,ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.