Cilastatin
TL;DR: Cilastatin (CAS 78852-98-9) is a chemical compound with molecular formula C16H26N2O5S and molecular weight 358.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid
Also Known As: Cilastatin, E-Cilastatin Acid, 7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid, (E)-7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid, 2-Heptenoic acid, 7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-
| Molecular Formula | C16H26N2O5S |
|---|---|
| Molecular Weight | 358.16 g/mol |
| LogP | 1.4326 |
| Topological Polar Surface Area | 129.72 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 358.15625 |
| Heavy Atoms | 24 |
| Complexity | 518.59717 |
Chemical Identifiers
| CAS Number | 78852-98-9 |
|---|---|
| SMILES | CC1(CC1C(=O)N/C(=C/CCCCSCC(C(=O)O)N)/C(=O)O)C |
Product Overview
Cilastatin (CAS 78852-98-9), with molecular formula C16H26N2O5S and molecular weight 358.16 g/mol. IUPAC: (E)-7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid.
Chemical Property Profile of Cilastatin
Property Insights of Cilastatin
The XLogP value of 1.4326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cilastatin. The TPSA of 129.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Cilastatin. Following Lipinski's Rule of Five, Cilastatin has 4 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 Cilastatin?
The CAS number of Cilastatin is 78852-98-9.
What is the molecular formula of Cilastatin?
The molecular formula of Cilastatin is C16H26N2O5S.
What is the molecular weight of Cilastatin?
The molecular weight of Cilastatin is 358.16 g/mol.
Where can I buy Cilastatin?
You can request a quote for Cilastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cilastatin?
Yes, KEHONG BIO provides custom synthesis services for Cilastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.