17-ACETOXYPREGNENOLONE
TL;DR: 17-ACETOXYPREGNENOLONE (CAS 85446-74-8) is a chemical compound with molecular formula C39H60BrNO3 and molecular weight 669.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-bromobutyl)pyridine-2-carboxylate
Also Known As: 17-ACETOXYPREGNENOLONE, dl-alpha-Tocopheryl 5-(4-bromobutyl)picolinate, 2-Pyridinecarboxylic acid, 5-(4-bromobutyl)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-bromobutyl)pyridine-2-carboxylate, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(4-bromobutyl)pyridine-2-carboxylate
| Molecular Formula | C39H60BrNO3 |
|---|---|
| Molecular Weight | 669.38 g/mol |
| LogP | 11.46646 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 669.3757 |
| Heavy Atoms | 44 |
| Complexity | 1191.0892 |
Chemical Identifiers
| CAS Number | 85446-74-8 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C3=NC=C(C=C3)CCCCBr)C |
Product Overview
17-ACETOXYPREGNENOLONE (CAS 85446-74-8), with molecular formula C39H60BrNO3 and molecular weight 669.38 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-bromobutyl)pyridine-2-carboxylate.
Chemical Property Profile of 17-ACETOXYPREGNENOLONE
Property Insights of 17-ACETOXYPREGNENOLONE
The XLogP value of 11.46646 indicates that 17-ACETOXYPREGNENOLONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 17-ACETOXYPREGNENOLONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-ACETOXYPREGNENOLONE has 0 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 17-ACETOXYPREGNENOLONE?
The CAS number of 17-ACETOXYPREGNENOLONE is 85446-74-8.
What is the molecular formula of 17-ACETOXYPREGNENOLONE?
The molecular formula of 17-ACETOXYPREGNENOLONE is C39H60BrNO3.
What is the molecular weight of 17-ACETOXYPREGNENOLONE?
The molecular weight of 17-ACETOXYPREGNENOLONE is 669.38 g/mol.
Where can I buy 17-ACETOXYPREGNENOLONE?
You can request a quote for 17-ACETOXYPREGNENOLONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-ACETOXYPREGNENOLONE?
Yes, KEHONG BIO provides custom synthesis services for 17-ACETOXYPREGNENOLONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.