![3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid structure](/static/products/1217/1217809-77-2.webp)
3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid
TL;DR: 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid (CAS 1217809-77-2) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoic acid
Also Known As: 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid, 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoic acid, 1H-1,4-benzodiazepine-3-propanoic acid, 2,3,4,5-tetrahydro-2,5-dioxo-, (3S)-, 3-(2,5-dioxo-3,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-4-yl)propanoic Acid, 3-(3S)-2,5-Dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-ylpropanoic acid
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 0.6019 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 512.55383 |
Chemical Identifiers
| CAS Number | 1217809-77-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N[C@H](C(=O)N2)CCC(=O)O |
Product Overview
3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid (CAS 1217809-77-2), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoic acid.
Chemical Property Profile of 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid
Property Insights of 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid
The XLogP value of 0.6019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid has 3 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 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid?
The CAS number of 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid is 1217809-77-2.
What is the molecular formula of 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid?
The molecular formula of 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid is C12H12N2O4.
What is the molecular weight of 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid?
The molecular weight of 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid is 248.08 g/mol.
Where can I buy 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid?
You can request a quote for 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.