4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate
TL;DR: 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate (CAS 91177-68-3) is a chemical compound with molecular formula C39H60O5 and molecular weight 608.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3R,10R,13R,17R)-3-benzyl-4-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
Also Known As: 4-Hmbcs, 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate, 4-(hydroxymethyl)benzyl-3 beta-cholestanyl succinate, 4-[[(3R,10R,13R,17R)-3-benzyl-4-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid, 4-{[3-Benzyl-4-(hydroxymethyl)cholestan-3-yl]oxy}-4-oxobutanoic acid
| Molecular Formula | C39H60O5 |
|---|---|
| Molecular Weight | 608.44 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 608.4441 |
| Heavy Atoms | 44 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 91177-68-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@](C4CO)(CC5=CC=CC=C5)OC(=O)CCC(=O)O)C)C |
| InChIKey | DRXYLMAFPVDRFY-XSWUMOGTSA-N |
Product Overview
4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate (CAS 91177-68-3), with molecular formula C39H60O5 and molecular weight 608.44 g/mol. IUPAC: 4-[[(3R,10R,13R,17R)-3-benzyl-4-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate
Property Insights of 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate
The XLogP value of 10.4 indicates that 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate. Following Lipinski's Rule of Five, 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate?
The CAS number of 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate is 91177-68-3.
What is the molecular formula of 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate?
The molecular formula of 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate is C39H60O5.
What is the molecular weight of 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate?
The molecular weight of 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate is 608.44 g/mol.
Where can I buy 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate?
You can request a quote for 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hydroxymethyl)benzyl-3beta-cholestanyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.