7beta-Hydroxycholesterol bishemisuccinate
TL;DR: 7beta-Hydroxycholesterol bishemisuccinate (CAS 95615-70-6) 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,7R,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: 7beta-Hydroxycholesterol bishemisuccinate, 7b-hydroxy-cholesteryl-bishemisuccinate, 7alpha-Hydroxycholesterol bishemisuccinate, 4-[[(3S,7R,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-oxo-butanoic acid, 4-[[(3S,7R,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
| 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 | 95615-70-6 |
|---|---|
| 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-WSOOCFLQSA-N |
Product Overview
7beta-Hydroxycholesterol bishemisuccinate (CAS 95615-70-6), with molecular formula C35H54O8 and molecular weight 602.38 g/mol. IUPAC: 4-[[(3S,7R,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 7beta-Hydroxycholesterol bishemisuccinate
Property Insights of 7beta-Hydroxycholesterol bishemisuccinate
The XLogP value of 7.4 indicates that 7beta-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 7beta-Hydroxycholesterol bishemisuccinate. Following Lipinski's Rule of Five, 7beta-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 7beta-Hydroxycholesterol bishemisuccinate?
The CAS number of 7beta-Hydroxycholesterol bishemisuccinate is 95615-70-6.
What is the molecular formula of 7beta-Hydroxycholesterol bishemisuccinate?
The molecular formula of 7beta-Hydroxycholesterol bishemisuccinate is C35H54O8.
What is the molecular weight of 7beta-Hydroxycholesterol bishemisuccinate?
The molecular weight of 7beta-Hydroxycholesterol bishemisuccinate is 602.38 g/mol.
Where can I buy 7beta-Hydroxycholesterol bishemisuccinate?
You can request a quote for 7beta-Hydroxycholesterol bishemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7beta-Hydroxycholesterol bishemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for 7beta-Hydroxycholesterol bishemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.