Chlorovulone I
TL;DR: Chlorovulone I (CAS 100296-00-2) 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 (Z,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 I, Acetic acid (E)-2-bromo-cyclonon-2-enyl ester, methyl (Z,7E)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate, 3-Hexanol, 5-methyl-, ( inverted exclamation markA)-, methyl 9-oxo-10-chloro-12R-hydroxy-5Z,7E,10Z,13Z-prostatetraenoate-cyclo[8,12]
| 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 | 100296-00-2 |
|---|---|
| SMILES | CCCCC/C=C\C[C@]\1(C=C(C(=O)/C1=C/C=C\CCCC(=O)OC)Cl)O |
Product Overview
Chlorovulone I (CAS 100296-00-2), with molecular formula C21H29ClO4 and molecular weight 380.18 g/mol. IUPAC: methyl (Z,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 I
Property Insights of Chlorovulone I
The XLogP value of 4.7754 indicates that Chlorovulone I 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 I. Following Lipinski's Rule of Five, Chlorovulone I 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 I?
The CAS number of Chlorovulone I is 100296-00-2.
What is the molecular formula of Chlorovulone I?
The molecular formula of Chlorovulone I is C21H29ClO4.
What is the molecular weight of Chlorovulone I?
The molecular weight of Chlorovulone I is 380.18 g/mol.
Where can I buy Chlorovulone I?
You can request a quote for Chlorovulone I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorovulone I?
Yes, KEHONG BIO provides custom synthesis services for Chlorovulone I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.