2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-
TL;DR: 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- (CAS 98705-35-2) is a chemical compound with molecular formula C15H26S and molecular weight 238.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-ditert-butyl-4-methyl-2,3-dihydrothiepine
Also Known As: 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-, 2,7-Di-tert-butylthiepin,4-methyl-2,3-dihydro-, 2,7-ditert-butyl-4-methyl-2,3-dihydrothiepine, 2,7-Di-tert-butyl-4-methyl-2,3-dihydrothiepine
| Molecular Formula | C15H26S |
|---|---|
| Molecular Weight | 238.18 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.17552 |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 98705-35-2 |
|---|---|
| SMILES | CC1=CC=C(SC(C1)C(C)(C)C)C(C)(C)C |
| InChIKey | FCBOYJOSXPJDED-UHFFFAOYSA-N |
Product Overview
2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- (CAS 98705-35-2), with molecular formula C15H26S and molecular weight 238.18 g/mol. IUPAC: 2,7-ditert-butyl-4-methyl-2,3-dihydrothiepine.
Chemical Property Profile of 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-
Property Insights of 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-
The XLogP value of 5.5 indicates that 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- 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 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-?
The CAS number of 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- is 98705-35-2.
What is the molecular formula of 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-?
The molecular formula of 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- is C15H26S.
What is the molecular weight of 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-?
The molecular weight of 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- is 238.18 g/mol.
Where can I buy 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-?
You can request a quote for 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.