RefChem:266618
TL;DR: RefChem:266618 (CAS 85446-90-8) is a chemical compound with molecular formula C38H57NO3S and molecular weight 607.41 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-prop-2-enylsulfanylpyridine-2-carboxylate
Also Known As: dl-alpha-Tocopheryl 5-(2-propenyl)thiopicolinate, 2-Pyridinecarboxylic acid, 5-(2-propenylthio)-, 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-prop-2-enylsulfanylpyridine-2-carboxylate, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-[(prop-2-en-1-yl)sulfanyl]pyridine-2-carboxylate, RefChem:266618
| Molecular Formula | C38H57NO3S |
|---|---|
| Molecular Weight | 607.41 g/mol |
| LogP | 11.02696 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 607.40594 |
| Heavy Atoms | 43 |
| Complexity | 1204.9077 |
Chemical Identifiers
| CAS Number | 85446-90-8 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C3=NC=C(C=C3)SCC=C)C |
Product Overview
RefChem:266618 (CAS 85446-90-8), with molecular formula C38H57NO3S and molecular weight 607.41 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-prop-2-enylsulfanylpyridine-2-carboxylate.
Chemical Property Profile of RefChem:266618
Property Insights of RefChem:266618
The XLogP value of 11.02696 indicates that RefChem:266618 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:266618 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:266618 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:266618?
The CAS number of RefChem:266618 is 85446-90-8.
What is the molecular formula of RefChem:266618?
The molecular formula of RefChem:266618 is C38H57NO3S.
What is the molecular weight of RefChem:266618?
The molecular weight of RefChem:266618 is 607.41 g/mol.
Where can I buy RefChem:266618?
You can request a quote for RefChem:266618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:266618?
Yes, KEHONG BIO provides custom synthesis services for RefChem:266618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.