beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester
TL;DR: beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester (CAS 71720-87-1) is a chemical compound with molecular formula C18H15NO5 and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]propanoate
Also Known As: beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester, methyl 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]propanoate, .beta.-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester, N-(9,10-Dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-beta-alanine methyl ester, Methyl N-(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-beta-alaninate
| Molecular Formula | C18H15NO5 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.1426 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.09503 |
| Heavy Atoms | 24 |
| Complexity | 856.4828 |
Chemical Identifiers
| CAS Number | 71720-87-1 |
|---|---|
| SMILES | COC(=O)CCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O |
Product Overview
beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester (CAS 71720-87-1), with molecular formula C18H15NO5 and molecular weight 325.10 g/mol. IUPAC: methyl 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]propanoate.
Chemical Property Profile of beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester
Property Insights of beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester
The XLogP value of 2.1426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester has 2 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 beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester?
The CAS number of beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester is 71720-87-1.
What is the molecular formula of beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester?
The molecular formula of beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester is C18H15NO5.
What is the molecular weight of beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester?
The molecular weight of beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester is 325.10 g/mol.
Where can I buy beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester?
You can request a quote for beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.