ASPARTIC ACID, N-ETHYL-, DL-
TL;DR: ASPARTIC ACID, N-ETHYL-, DL- (CAS 12045-78-2) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-3-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)propanamide
Also Known As: ASPARTIC ACID, N-ETHYL-, DL-, 2,3,5,10,11,11a-Hexahydro-9-hydroxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepine-2-propionamide, 1H-Pyrrolo(2,1-c)(1,4)benzodiazepine-2-propionamide, 2,3,5,10,11,11a-hexahydro-9-hydroxy-8-methyl-5-oxo-, 3-(4-hydroxy-3-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)propanamide, 3-(9-Hydroxy-8-methyl-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)propanimidic acid
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 12045-78-2 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)N3CC(CC3CN2)CCC(=O)N)O |
| InChIKey | ISVASKMGGXBTNC-UHFFFAOYSA-N |
Product Overview
ASPARTIC ACID, N-ETHYL-, DL- (CAS 12045-78-2), with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol. IUPAC: 3-(4-hydroxy-3-methyl-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)propanamide.
Chemical Property Profile of ASPARTIC ACID, N-ETHYL-, DL-
Property Insights of ASPARTIC ACID, N-ETHYL-, DL-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASPARTIC ACID, N-ETHYL-, DL-. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ASPARTIC ACID, N-ETHYL-, DL-. Following Lipinski's Rule of Five, ASPARTIC ACID, N-ETHYL-, DL- has 3 hydrogen bond donor(s) and 4 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 ASPARTIC ACID, N-ETHYL-, DL-?
The CAS number of ASPARTIC ACID, N-ETHYL-, DL- is 12045-78-2.
What is the molecular formula of ASPARTIC ACID, N-ETHYL-, DL-?
The molecular formula of ASPARTIC ACID, N-ETHYL-, DL- is C16H21N3O3.
What is the molecular weight of ASPARTIC ACID, N-ETHYL-, DL-?
The molecular weight of ASPARTIC ACID, N-ETHYL-, DL- is 303.16 g/mol.
Where can I buy ASPARTIC ACID, N-ETHYL-, DL-?
You can request a quote for ASPARTIC ACID, N-ETHYL-, DL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASPARTIC ACID, N-ETHYL-, DL-?
Yes, KEHONG BIO provides custom synthesis services for ASPARTIC ACID, N-ETHYL-, DL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.