chlorovulone II
TL;DR: chlorovulone II (CAS 100295-80-5) is a chemical compound with molecular formula C21H29ClO4 and molecular weight 380.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E,7E)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Also Known As: chlorovulone II, Chlorovulone I, chlorovulone III, methyl (E,7E)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate, (5E,7E,14Z)-10-Chloro-12-hydroxy-9-oxoprosta-5,7,10,14-tetren-1-oic acid methyl ester
| Molecular Formula | C21H29ClO4 |
|---|---|
| Molecular Weight | 380.18 g/mol |
| LogP | 4.7754 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 380.17545 |
| Heavy Atoms | 26 |
| Complexity | 601.1323 |
Chemical Identifiers
| CAS Number | 100295-80-5 |
|---|---|
| SMILES | CCCCC/C=C\C[C@]\1(C=C(C(=O)/C1=C/C=C/CCCC(=O)OC)Cl)O |
Product Overview
chlorovulone II (CAS 100295-80-5), with molecular formula C21H29ClO4 and molecular weight 380.18 g/mol. IUPAC: methyl (E,7E)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate.
Chemical Property Profile of chlorovulone II
Property Insights of chlorovulone II
The XLogP value of 4.7754 indicates that chlorovulone II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for chlorovulone II. Following Lipinski's Rule of Five, chlorovulone II has 1 hydrogen bond donor(s) and 4 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 chlorovulone II?
The CAS number of chlorovulone II is 100295-80-5.
What is the molecular formula of chlorovulone II?
The molecular formula of chlorovulone II is C21H29ClO4.
What is the molecular weight of chlorovulone II?
The molecular weight of chlorovulone II is 380.18 g/mol.
Where can I buy chlorovulone II?
You can request a quote for chlorovulone II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chlorovulone II?
Yes, KEHONG BIO provides custom synthesis services for chlorovulone II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.