Cholesteryl carbonate
TL;DR: Cholesteryl carbonate (CAS 29331-39-3) is a chemical compound with molecular formula C55H90O3 and molecular weight 798.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate
Also Known As: Cholesteryl carbonate, dicholest-5-en-3-yl carbonate, Cholest-5-en-3-ol (3beta)-, carbonate (2:1), Di(cholest-5-en-3-yl) carbonate, Cholest-5-en-3-ol (3b)-, carbonate (2:1)
| Molecular Formula | C55H90O3 |
|---|---|
| Molecular Weight | 798.69 g/mol |
| LogP | 18.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 798.689 |
| Heavy Atoms | 58 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 29331-39-3 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC5CCC6(C7CCC8(C(C7CC=C6C5)CCC8C(C)CCCC(C)C)C)C)C)C |
| InChIKey | JWXLCQHWBFHMOI-UHFFFAOYSA-N |
Product Overview
Cholesteryl carbonate (CAS 29331-39-3), with molecular formula C55H90O3 and molecular weight 798.69 g/mol. IUPAC: bis[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate.
Chemical Property Profile of Cholesteryl carbonate
Property Insights of Cholesteryl carbonate
The XLogP value of 18.5 indicates that Cholesteryl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Cholesteryl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl carbonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesteryl carbonate?
The CAS number of Cholesteryl carbonate is 29331-39-3.
What is the molecular formula of Cholesteryl carbonate?
The molecular formula of Cholesteryl carbonate is C55H90O3.
What is the molecular weight of Cholesteryl carbonate?
The molecular weight of Cholesteryl carbonate is 798.69 g/mol.
Where can I buy Cholesteryl carbonate?
You can request a quote for Cholesteryl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.