RefChem:350563
TL;DR: RefChem:350563 (CAS 114668-70-1) is a chemical compound with molecular formula C22H21Cl2NO5 and molecular weight 449.07968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(1S,3S)-3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentanecarbonyl]amino]propanoic acid
Also Known As: L-Alanine, N-((3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentyl)carbonyl)-, (1S-trans)-, (1S-trans)-N-((3-(4-Benzoyl-2,3-dichlorophenoxy)cyclopentyl)carbonyl)-L-alanine, N-[(1S,3S)-3-(4-Benzoyl-2,3-dichlorophenoxy)cyclopentane-1-carbonyl]-L-alanine, (2S)-2-[[(1S,3S)-3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentanecarbonyl]amino]propanoic acid
Technical Specifications
| Molecular Formula | C22H21Cl2NO5 |
| Molecular Weight | 449.07968 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.07968 Da |
| Heavy Atoms | 30 |
| Complexity | 639.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H]1CC[C@@H](C1)OC2=C(C(=C(C=C2)C(=O)C3=CC=CC=C3)Cl)Cl |
| InChIKey | ZVMRXRFVQRLTIW-QEJZJMRPSA-N |
Chemical Property Profile of RefChem:350563
Property Insights of RefChem:350563
The XLogP value of 4.7 indicates that RefChem:350563 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350563. Following Lipinski's Rule of Five, RefChem:350563 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:350563?
The CAS number of RefChem:350563 is 114668-70-1.
What is the molecular formula of RefChem:350563?
The molecular formula of RefChem:350563 is C22H21Cl2NO5.
What is the molecular weight of RefChem:350563?
The molecular weight of RefChem:350563 is 449.07968 g/mol.
Where can I buy RefChem:350563?
You can request a quote for RefChem:350563 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:350563?
Yes, CoreyChem provides custom synthesis services for RefChem:350563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.