![4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene structure](/static/products/1005/1005100-63-9.webp)
4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene
TL;DR: 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene (CAS 1005100-63-9) is a chemical compound with molecular formula C21H27ClOS and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-tert-butylphenyl)methoxy]-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene
Also Known As: 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene, 4-[(4-tert-butylphenyl)methoxy]-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene, 4-[(4-tert-butylphenyl)methoxy]-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran, 2H-1-Benzothiopyran, 6-chloro-4-[[4-(1,1-dimethylethyl)phenyl]methoxy]-3,4,4a,8a-tetrahydro-2-methyl-
| Molecular Formula | C21H27ClOS |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 6.072 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.14713 |
| Heavy Atoms | 24 |
| Complexity | 626.234 |
Chemical Identifiers
| CAS Number | 1005100-63-9 |
|---|---|
| SMILES | CC1CC(C2C=C(C=CC2S1)Cl)OCC3=CC=C(C=C3)C(C)(C)C |
Product Overview
4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene (CAS 1005100-63-9), with molecular formula C21H27ClOS and molecular weight 362.15 g/mol. IUPAC: 4-[(4-tert-butylphenyl)methoxy]-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene.
Chemical Property Profile of 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene
Property Insights of 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene
The XLogP value of 6.072 indicates that 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene?
The CAS number of 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene is 1005100-63-9.
What is the molecular formula of 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene?
The molecular formula of 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene is C21H27ClOS.
What is the molecular weight of 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene?
The molecular weight of 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene is 362.15 g/mol.
Where can I buy 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene?
You can request a quote for 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(tert-butyl)benzyl]oxy}-6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-thiochromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.