1-Thio-alpha-tocopherol
TL;DR: 1-Thio-alpha-tocopherol (CAS 133869-30-4) is a chemical compound with molecular formula C31H52O2S and molecular weight 488.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrothiochromen-6-yl] acetate
Also Known As: 1-Thio-alpha-tocopherol, [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrothiochromen-6-yl] acetate, 2H-1-Benzothiopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (2R*(4R*,8R*))-(+-)-, [(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]thiochroman-6-yl] acetate, (2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzothiopyran-6-yl acetate
| Molecular Formula | C31H52O2S |
|---|---|
| Molecular Weight | 488.37 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 488.3688 |
| Heavy Atoms | 34 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 133869-30-4 |
|---|---|
| SMILES | CC1=C(C2=C(CC[C@@](S2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1OC(=O)C)C)C |
| InChIKey | PHDCNCCBUMXPPQ-CEFNRUSXSA-N |
Product Overview
1-Thio-alpha-tocopherol (CAS 133869-30-4), with molecular formula C31H52O2S and molecular weight 488.37 g/mol. IUPAC: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrothiochromen-6-yl] acetate.
Chemical Property Profile of 1-Thio-alpha-tocopherol
Property Insights of 1-Thio-alpha-tocopherol
The XLogP value of 11.3 indicates that 1-Thio-alpha-tocopherol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 1-Thio-alpha-tocopherol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thio-alpha-tocopherol has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Thio-alpha-tocopherol?
The CAS number of 1-Thio-alpha-tocopherol is 133869-30-4.
What is the molecular formula of 1-Thio-alpha-tocopherol?
The molecular formula of 1-Thio-alpha-tocopherol is C31H52O2S.
What is the molecular weight of 1-Thio-alpha-tocopherol?
The molecular weight of 1-Thio-alpha-tocopherol is 488.37 g/mol.
Where can I buy 1-Thio-alpha-tocopherol?
You can request a quote for 1-Thio-alpha-tocopherol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thio-alpha-tocopherol?
Yes, KEHONG BIO provides custom synthesis services for 1-Thio-alpha-tocopherol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.