Cifelin
TL;DR: Cifelin (CAS 13425-94-0) is a chemical compound with molecular formula C22H33Cl2N3O4 and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R)-2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate
Also Known As: Asalin, Asaline, N-Acetylsarcolysylvaline, CIFELIN, N-Acetyl-sarcolysil valine ethyl ether
| Molecular Formula | C22H33Cl2N3O4 |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 473.1848 |
| Heavy Atoms | 31 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 13425-94-0 |
|---|---|
| SMILES | CCOC(=O)[C@@H](C(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C |
| InChIKey | LGLLXTFYYXSARU-GFOWMXPYSA-N |
Product Overview
Cifelin (CAS 13425-94-0), with molecular formula C22H33Cl2N3O4 and molecular weight 473.18 g/mol. IUPAC: ethyl (2R)-2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of Cifelin
Property Insights of Cifelin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cifelin. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cifelin. Following Lipinski's Rule of Five, Cifelin 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
Frequently Asked Questions
What is the CAS number of Cifelin?
The CAS number of Cifelin is 13425-94-0.
What is the molecular formula of Cifelin?
The molecular formula of Cifelin is C22H33Cl2N3O4.
What is the molecular weight of Cifelin?
The molecular weight of Cifelin is 473.18 g/mol.
Where can I buy Cifelin?
You can request a quote for Cifelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cifelin?
Yes, KEHONG BIO provides custom synthesis services for Cifelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.