RefChem:266617
TL;DR: RefChem:266617 (CAS 85446-89-5) is a chemical compound with molecular formula C38H58ClNO3S and molecular weight 643.38 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-(3-chloropropylsulfanyl)pyridine-2-carboxylate
Also Known As: dl-alpha-Tocopheryl 5-(3-chloropropylthio)picolinate, 2-Pyridinecarboxylic acid, 5-((3-chloropropyl)thio)-, 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- chroman-6-yl]5- pyridine-2-carboxylate, [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(3-chloropropylsulfanyl)pyridine-2-carboxylate, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-[(3-chloropropyl)sulfanyl]pyridine-2-carboxylate
| Molecular Formula | C38H58ClNO3S |
|---|---|
| Molecular Weight | 643.38 g/mol |
| LogP | 11.46986 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 643.38257 |
| Heavy Atoms | 44 |
| Complexity | 1197.7987 |
Chemical Identifiers
| CAS Number | 85446-89-5 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C3=NC=C(C=C3)SCCCCl)C |
Product Overview
RefChem:266617 (CAS 85446-89-5), with molecular formula C38H58ClNO3S and molecular weight 643.38 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(3-chloropropylsulfanyl)pyridine-2-carboxylate.
Chemical Property Profile of RefChem:266617
Property Insights of RefChem:266617
The XLogP value of 11.46986 indicates that RefChem:266617 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:266617 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:266617 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:266617?
The CAS number of RefChem:266617 is 85446-89-5.
What is the molecular formula of RefChem:266617?
The molecular formula of RefChem:266617 is C38H58ClNO3S.
What is the molecular weight of RefChem:266617?
The molecular weight of RefChem:266617 is 643.38 g/mol.
Where can I buy RefChem:266617?
You can request a quote for RefChem:266617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:266617?
Yes, KEHONG BIO provides custom synthesis services for RefChem:266617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.