3-hydroxy- lup-20 -en-27-oicacid
TL;DR: 3-hydroxy- lup-20 -en-27-oicacid (CAS 85540-98-3) is a chemical compound with molecular formula C39H54O6 and molecular weight 618.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
Also Known As: 3-hydroxy- lup-20 -en-27-oicacid
| Molecular Formula | C39H54O6 |
|---|---|
| Molecular Weight | 618.39 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.392 |
| Heavy Atoms | 45 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 85540-98-3 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C(=O)O)C)(C)C)O)C)COC(=O)C=CC6=CC=C(C=C6)O |
| InChIKey | JCJRDRGIXVRCJM-YORQBWEOSA-N |
Product Overview
3-hydroxy- lup-20 -en-27-oicacid (CAS 85540-98-3), with molecular formula C39H54O6 and molecular weight 618.39 g/mol. IUPAC: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid.
Chemical Property Profile of 3-hydroxy- lup-20 -en-27-oicacid
Property Insights of 3-hydroxy- lup-20 -en-27-oicacid
The XLogP value of 9.1 indicates that 3-hydroxy- lup-20 -en-27-oicacid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy- lup-20 -en-27-oicacid. Following Lipinski's Rule of Five, 3-hydroxy- lup-20 -en-27-oicacid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-hydroxy- lup-20 -en-27-oicacid?
The CAS number of 3-hydroxy- lup-20 -en-27-oicacid is 85540-98-3.
What is the molecular formula of 3-hydroxy- lup-20 -en-27-oicacid?
The molecular formula of 3-hydroxy- lup-20 -en-27-oicacid is C39H54O6.
What is the molecular weight of 3-hydroxy- lup-20 -en-27-oicacid?
The molecular weight of 3-hydroxy- lup-20 -en-27-oicacid is 618.39 g/mol.
Where can I buy 3-hydroxy- lup-20 -en-27-oicacid?
You can request a quote for 3-hydroxy- lup-20 -en-27-oicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy- lup-20 -en-27-oicacid?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy- lup-20 -en-27-oicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.