2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman
TL;DR: 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman (CAS 84253-14-5) is a chemical compound with molecular formula C29H49ClO and molecular weight 448.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-6-chloro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
Also Known As: Tmtmtd-CC, Chlorinated alpha-tocopherol, KST-1A8516, 2,5,7,8-tetramethyl-2-6-chlorochroman, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman
| Molecular Formula | C29H49ClO |
|---|---|
| Molecular Weight | 448.35 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 448.3472 |
| Heavy Atoms | 31 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 84253-14-5 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)Cl)C |
| InChIKey | IEKYONPBVCJRKS-IEOSBIPESA-N |
Product Overview
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman (CAS 84253-14-5), with molecular formula C29H49ClO and molecular weight 448.35 g/mol. IUPAC: (2R)-6-chloro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene.
Chemical Property Profile of 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman
Property Insights of 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman
The XLogP value of 11.7 indicates that 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman?
The CAS number of 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman is 84253-14-5.
What is the molecular formula of 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman?
The molecular formula of 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman is C29H49ClO.
What is the molecular weight of 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman?
The molecular weight of 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman is 448.35 g/mol.
Where can I buy 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman?
You can request a quote for 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman?
Yes, KEHONG BIO provides custom synthesis services for 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chlorochroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.