chlorovulone III
TL;DR: chlorovulone III (CAS 100295-79-2) 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,7Z)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Also Known As: chlorovulone III, chlorovulone II, Chlorovulone I, methyl (E,7Z)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate, (5E,7Z,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 | 100295-79-2 |
|---|---|
| SMILES | CCCCC/C=C\C[C@]\1(C=C(C(=O)/C1=C\C=C\CCCC(=O)OC)Cl)O |
Product Overview
chlorovulone III (CAS 100295-79-2), with molecular formula C21H29ClO4 and molecular weight 380.18 g/mol. IUPAC: methyl (E,7Z)-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 III
Property Insights of chlorovulone III
The XLogP value of 4.7754 indicates that chlorovulone III 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 III. Following Lipinski's Rule of Five, chlorovulone III 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 III?
The CAS number of chlorovulone III is 100295-79-2.
What is the molecular formula of chlorovulone III?
The molecular formula of chlorovulone III is C21H29ClO4.
What is the molecular weight of chlorovulone III?
The molecular weight of chlorovulone III is 380.18 g/mol.
Where can I buy chlorovulone III?
You can request a quote for chlorovulone III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chlorovulone III?
Yes, KEHONG BIO provides custom synthesis services for chlorovulone III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.