5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
TL;DR: 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- (CAS 40666-30-6) is a chemical compound with molecular formula C22H29ClO5S and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-7-[(2R)-2-[(E,3R)-4-(4-chlorophenyl)sulfanyl-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Also Known As: 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-, 5-HEPTENOIC ACID, 7-(2-(4-((4-CHLOROPHENYL)THIO)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDR, (Z)-7-[(2R)-2-[(E,3R)-4-(4-chlorophenyl)sulfanyl-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
| Molecular Formula | C22H29ClO5S |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 3.9083 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 440.14243 |
| Heavy Atoms | 29 |
| Complexity | 690.948 |
Chemical Identifiers
| CAS Number | 40666-30-6 |
|---|---|
| SMILES | C1C([C@@H](C(C1O)C/C=C\CCCC(=O)O)/C=C/[C@H](CSC2=CC=C(C=C2)Cl)O)O |
Product Overview
5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- (CAS 40666-30-6), with molecular formula C22H29ClO5S and molecular weight 440.14 g/mol. IUPAC: (Z)-7-[(2R)-2-[(E,3R)-4-(4-chlorophenyl)sulfanyl-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.
Chemical Property Profile of 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
Property Insights of 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
The XLogP value of 3.9083 indicates that 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-. Following Lipinski's Rule of Five, 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- 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 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-?
The CAS number of 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- is 40666-30-6.
What is the molecular formula of 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-?
The molecular formula of 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- is C22H29ClO5S.
What is the molecular weight of 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-?
The molecular weight of 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- is 440.14 g/mol.
Where can I buy 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-?
You can request a quote for 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.