3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-
TL;DR: 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- (CAS 65434-56-2) is a chemical compound with molecular formula C17H27ClO2S and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-tert-butyl-1-chloro-1,3,3-trimethyl-2,1λ4-benzoxathiol-7-yl)propan-2-ol
Also Known As: 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-, 2-(5-tert-butyl-1-chloro-1,3,3-trimethyl-2,1, C(C)(C)(O)c1cc(cc2c1S(C)(Cl)OC2(C)C)C(C)(C)C, 1-Chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-3H-2,1-benzoxathiole-7-methanol, 2-(5-tert-butyl-1-chloro-1,3,3-trimethyl-2,1lambda4-benzoxathiol-
| Molecular Formula | C17H27ClO2S |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.14203 |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 65434-56-2 |
|---|---|
| SMILES | CC1(C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)O)S(O1)(C)Cl)C |
| InChIKey | QOBZDWDTMCTWQQ-UHFFFAOYSA-N |
Product Overview
3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- (CAS 65434-56-2), with molecular formula C17H27ClO2S and molecular weight 330.14 g/mol. IUPAC: 2-(5-tert-butyl-1-chloro-1,3,3-trimethyl-2,1λ4-benzoxathiol-7-yl)propan-2-ol.
Chemical Property Profile of 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-
Property Insights of 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-
The XLogP value of 4.8 indicates that 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-?
The CAS number of 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- is 65434-56-2.
What is the molecular formula of 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-?
The molecular formula of 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- is C17H27ClO2S.
What is the molecular weight of 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-?
The molecular weight of 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- is 330.14 g/mol.
Where can I buy 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-?
You can request a quote for 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-2,1-Benzoxathiole-7-methanol, 1-chloro-5-(1,1-dimethylethyl)-1,1-dihydro-alpha,alpha,1,3,3-pentamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.