RefChem:1060008
TL;DR: RefChem:1060008 (CAS 85446-84-0) is a chemical compound with molecular formula C39H61NO3S and molecular weight 623.44 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-butylsulfanylpyridine-2-carboxylate
Also Known As: dl-alpha-Tocopheryl 5-butylthiopicolinate, 2-Pyridinecarboxylic acid, 5-(butylthio)-, 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-butylsulfanylpyridine-2-carboxylate, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(butylsulfanyl)pyridine-2-carboxylate, 2-Pyridinecarboxylic acid,5-(butylthio)-,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
| Molecular Formula | C39H61NO3S |
|---|---|
| Molecular Weight | 623.44 g/mol |
| LogP | 11.64106 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 623.4372 |
| Heavy Atoms | 44 |
| Complexity | 1191.0892 |
Chemical Identifiers
| CAS Number | 85446-84-0 |
|---|---|
| SMILES | CCCCSC1=CN=C(C=C1)C(=O)OC2=C(C3=C(C(=C2C)C)OC(CC3)(C)CCCC(C)CCCC(C)CCCC(C)C)C |
Product Overview
RefChem:1060008 (CAS 85446-84-0), with molecular formula C39H61NO3S and molecular weight 623.44 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-butylsulfanylpyridine-2-carboxylate.
Chemical Property Profile of RefChem:1060008
Property Insights of RefChem:1060008
The XLogP value of 11.64106 indicates that RefChem:1060008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, RefChem:1060008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060008 has 0 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 RefChem:1060008?
The CAS number of RefChem:1060008 is 85446-84-0.
What is the molecular formula of RefChem:1060008?
The molecular formula of RefChem:1060008 is C39H61NO3S.
What is the molecular weight of RefChem:1060008?
The molecular weight of RefChem:1060008 is 623.44 g/mol.
Where can I buy RefChem:1060008?
You can request a quote for RefChem:1060008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060008?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.