7alpha-Hydroxycholesterol bishemisuccinate
TL;DR: 7alpha-Hydroxycholesterol bishemisuccinate (CAS 96426-15-2) is a chemical compound with molecular formula C35H54O8 and molecular weight 602.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
Also Known As: 7alpha-Hydroxycholesterol bishemisuccinate, 4,4'-[Cholest-5-ene-3,7-diylbis(oxy)]bis(4-oxobutanoic acid), 4,4'-[(17xi)-3beta,7alpha-Cholest-5-ene-3,7-diylbis(oxy)]bis(4-oxobutanoic acid), 4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(4-hydroxy-4-oxobutanoyl)oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
| Molecular Formula | C35H54O8 |
|---|---|
| Molecular Weight | 602.38 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 602.3819 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 96426-15-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)OC(=O)CCC(=O)O)C |
| InChIKey | SJWLANHCKOJFTD-AJNUDCEFSA-N |
Product Overview
7alpha-Hydroxycholesterol bishemisuccinate (CAS 96426-15-2), with molecular formula C35H54O8 and molecular weight 602.38 g/mol. IUPAC: 4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of 7alpha-Hydroxycholesterol bishemisuccinate
Property Insights of 7alpha-Hydroxycholesterol bishemisuccinate
The XLogP value of 7.4 indicates that 7alpha-Hydroxycholesterol bishemisuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7alpha-Hydroxycholesterol bishemisuccinate. Following Lipinski's Rule of Five, 7alpha-Hydroxycholesterol bishemisuccinate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7alpha-Hydroxycholesterol bishemisuccinate?
The CAS number of 7alpha-Hydroxycholesterol bishemisuccinate is 96426-15-2.
What is the molecular formula of 7alpha-Hydroxycholesterol bishemisuccinate?
The molecular formula of 7alpha-Hydroxycholesterol bishemisuccinate is C35H54O8.
What is the molecular weight of 7alpha-Hydroxycholesterol bishemisuccinate?
The molecular weight of 7alpha-Hydroxycholesterol bishemisuccinate is 602.38 g/mol.
Where can I buy 7alpha-Hydroxycholesterol bishemisuccinate?
You can request a quote for 7alpha-Hydroxycholesterol bishemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-Hydroxycholesterol bishemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-Hydroxycholesterol bishemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.