1-Dehydroxy-23-deoxojessic acid
TL;DR: 1-Dehydroxy-23-deoxojessic acid (CAS 149252-87-9) is a chemical compound with molecular formula C31H50O3 and molecular weight 470.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,6S,7S,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
Also Known As: 1-Dehydroxy-23-deoxojessic acid, J1.124.505F, 3beta-Hydroxy-24-methylenecycloartan-28-oic acid, (1S,3R,6S,7S,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid, 24-Methylene-3beta-hydroxy-5alpha-cycloartan-28-oic acid
| Molecular Formula | C31H50O3 |
|---|---|
| Molecular Weight | 470.38 g/mol |
| LogP | 7.4796 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.376 |
| Heavy Atoms | 34 |
| Complexity | 877.90283 |
Chemical Identifiers
| CAS Number | 149252-87-9 |
|---|---|
| SMILES | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H]([C@@]5(C)C(=O)O)O)C)C |
Product Overview
1-Dehydroxy-23-deoxojessic acid (CAS 149252-87-9), with molecular formula C31H50O3 and molecular weight 470.38 g/mol. IUPAC: (1S,3R,6S,7S,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid.
Chemical Property Profile of 1-Dehydroxy-23-deoxojessic acid
Property Insights of 1-Dehydroxy-23-deoxojessic acid
The XLogP value of 7.4796 indicates that 1-Dehydroxy-23-deoxojessic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 1-Dehydroxy-23-deoxojessic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dehydroxy-23-deoxojessic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Dehydroxy-23-deoxojessic acid?
The CAS number of 1-Dehydroxy-23-deoxojessic acid is 149252-87-9.
What is the molecular formula of 1-Dehydroxy-23-deoxojessic acid?
The molecular formula of 1-Dehydroxy-23-deoxojessic acid is C31H50O3.
What is the molecular weight of 1-Dehydroxy-23-deoxojessic acid?
The molecular weight of 1-Dehydroxy-23-deoxojessic acid is 470.38 g/mol.
Where can I buy 1-Dehydroxy-23-deoxojessic acid?
You can request a quote for 1-Dehydroxy-23-deoxojessic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dehydroxy-23-deoxojessic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Dehydroxy-23-deoxojessic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.