beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester
TL;DR: beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester (CAS 68133-25-5) is a chemical compound with molecular formula C13H18N2O6 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 3-(2-methoxy-5-nitroanilino)propanoate
Also Known As: 2-methoxyethyln-beta-alaninate, 2-methoxyethylN- -beta-alaninate, 2-Methoxyethyl N-(2-methoxy-5-nitrophenyl)-beta-alaninate, N-(2-Methoxy-5-nitrophenyl)-beta-alanine, 2-methoxyethyl ester, .beta.-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester
| Molecular Formula | C13H18N2O6 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.1165 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 68133-25-5 |
|---|---|
| SMILES | COCCOC(=O)CCNC1=C(C=CC(=C1)[N+](=O)[O-])OC |
| InChIKey | DYSWWFSUVZDAHO-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester (CAS 68133-25-5), with molecular formula C13H18N2O6 and molecular weight 298.12 g/mol. IUPAC: 2-methoxyethyl 3-(2-methoxy-5-nitroanilino)propanoate.
Chemical Property Profile of beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester
Property Insights of beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester has 1 hydrogen bond donor(s) and 7 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-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester?
The CAS number of beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester is 68133-25-5.
What is the molecular formula of beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester?
The molecular formula of beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester is C13H18N2O6.
What is the molecular weight of beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester?
The molecular weight of beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester is 298.12 g/mol.
Where can I buy beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester?
You can request a quote for beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl 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-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.