Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-
TL;DR: Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)- (CAS 1306917-83-8) is a chemical compound with molecular formula C11H13Cl2NO2 and molecular weight 261.03235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (3R)-3-amino-3-(3,4-dichlorophenyl)propanoate
Also Known As: (R)-Ethyl3-amino-3-(3,4-dichlorophenyl)propanoate, (R)-Ethyl 3-amino-3-(3,4-dichlorophenyl)propanoate, ethyl (3R)-3-amino-3-(3,4-dichlorophenyl)propanoate, BENZENEPROPANOIC ACID, BETA-AMINO-3,4-DICHLORO-, ETHYL ESTER, (BETAR)-, N14368
Technical Specifications
| Molecular Formula | C11H13Cl2NO2 |
| Molecular Weight | 261.03235 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.03235 Da |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
| SMILES | CCOC(=O)C[C@H](C1=CC(=C(C=C1)Cl)Cl)N |
| InChIKey | AHLAIISGKFGMSS-SNVBAGLBSA-N |
Chemical Property Profile of Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-
Property Insights of Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-. With a topological polar surface area (TPSA) of 52.3 Ų, Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-?
The CAS number of Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)- is 1306917-83-8.
What is the molecular formula of Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-?
The molecular formula of Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)- is C11H13Cl2NO2.
What is the molecular weight of Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-?
The molecular weight of Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)- is 261.03235 g/mol.
Where can I buy Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-?
You can request a quote for Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)-?
Yes, CoreyChem provides custom synthesis services for Benzenepropanoic acid, beta-amino-3,4-dichloro-, ethyl ester, (betar)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.