Cholesteryl hydrogen phthalate
TL;DR: Cholesteryl hydrogen phthalate (CAS 6732-01-0) is a chemical compound with molecular formula C35H50O4 and molecular weight 534.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(3S,8S,9S,10R,13R,14S,17R)-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]oxycarbonyl]benzoic acid
Also Known As: Cholesterol Hydrogen Phthalate, CHOLESTERYL HYDROGEN PHTHALATE, cholesterol hydrogen-phthalate, Phthalic Acid Monocholesterol Ester, Cholest-5-en-3beta-yl hydrogen phthalate
| Molecular Formula | C35H50O4 |
|---|---|
| Molecular Weight | 534.37 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 534.3709 |
| Heavy Atoms | 39 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 6732-01-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5C(=O)O)C)C |
| InChIKey | DNRPYEJJPBQNQB-MMFRCHASSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesteryl hydrogen phthalate (CAS 6732-01-0), with molecular formula C35H50O4 and molecular weight 534.37 g/mol. IUPAC: 2-[[(3S,8S,9S,10R,13R,14S,17R)-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]oxycarbonyl]benzoic acid.
Chemical Property Profile of Cholesteryl hydrogen phthalate
Property Insights of Cholesteryl hydrogen phthalate
The XLogP value of 10.3 indicates that Cholesteryl hydrogen phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholesteryl hydrogen phthalate. Following Lipinski's Rule of Five, Cholesteryl hydrogen phthalate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesteryl hydrogen phthalate?
The CAS number of Cholesteryl hydrogen phthalate is 6732-01-0.
What is the molecular formula of Cholesteryl hydrogen phthalate?
The molecular formula of Cholesteryl hydrogen phthalate is C35H50O4.
What is the molecular weight of Cholesteryl hydrogen phthalate?
The molecular weight of Cholesteryl hydrogen phthalate is 534.37 g/mol.
Where can I buy Cholesteryl hydrogen phthalate?
You can request a quote for Cholesteryl hydrogen phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl hydrogen phthalate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl hydrogen phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.