Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester
TL;DR: Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester (CAS 170291-06-2) is a chemical compound with molecular formula C23H39ClO5 and molecular weight 430.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]but-2-enoxy]acetate
Also Known As: Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester, AL-6598, AL6598, AL 6598, 9-Chloro-15-cyclohexyl-11,15-dihydro-3-oxa-16,17,18,19,20-pentanor-prostenoic acid isopropyl ester (5Z,9R,11R,15R), propan-2-yl 2-[(Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]but-2-enoxy]acetate, (5Z)-(9R,11R,15R)-9-chloro-15-cyclohexyl-11,15-dihydroxy-3-o
| Molecular Formula | C23H39ClO5 |
|---|---|
| Molecular Weight | 430.25 g/mol |
| LogP | 4.2267 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 430.2486 |
| Heavy Atoms | 29 |
| Complexity | 503.49667 |
Chemical Identifiers
| CAS Number | 170291-06-2 |
|---|---|
| SMILES | CC(C)OC(=O)COC/C=C\C[C@H]1[C@@H](C[C@H]([C@@H]1CC[C@H](C2CCCCC2)O)O)Cl |
Product Overview
Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester (CAS 170291-06-2), with molecular formula C23H39ClO5 and molecular weight 430.25 g/mol. IUPAC: propan-2-yl 2-[(Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]but-2-enoxy]acetate.
Chemical Property Profile of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester
Property Insights of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester
The XLogP value of 4.2267 indicates that Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester has 2 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 Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester?
The CAS number of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester is 170291-06-2.
What is the molecular formula of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester?
The molecular formula of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester is C23H39ClO5.
What is the molecular weight of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester?
The molecular weight of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester is 430.25 g/mol.
Where can I buy Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester?
You can request a quote for Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.