2,7-Di-tert-butylthiepin, 4,5-dimethyl-
TL;DR: 2,7-Di-tert-butylthiepin, 4,5-dimethyl- (CAS 84477-45-2) is a chemical compound with molecular formula C16H26S and molecular weight 250.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-ditert-butyl-4,5-dimethylthiepine
Also Known As: 2,7-Di-tert-butylthiepin, 4,5-dimethyl-, 2,7-ditert-butyl-4,5-dimethylthiepine, 2,7-Di-tert-butylthiepin,4,5-dimethyl-, 4,5-dimethyl-2,7-di-tert-butylthiepin, 4,5-dimethyl-2,7-ditert-butyl-thiepine
| Molecular Formula | C16H26S |
|---|---|
| Molecular Weight | 250.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.17552 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 84477-45-2 |
|---|---|
| SMILES | CC1=C(C=C(SC(=C1)C(C)(C)C)C(C)(C)C)C |
| InChIKey | OZPPEFXLSXNYHG-UHFFFAOYSA-N |
Product Overview
2,7-Di-tert-butylthiepin, 4,5-dimethyl- (CAS 84477-45-2), with molecular formula C16H26S and molecular weight 250.18 g/mol. IUPAC: 2,7-ditert-butyl-4,5-dimethylthiepine.
Chemical Property Profile of 2,7-Di-tert-butylthiepin, 4,5-dimethyl-
Property Insights of 2,7-Di-tert-butylthiepin, 4,5-dimethyl-
The XLogP value of 5.4 indicates that 2,7-Di-tert-butylthiepin, 4,5-dimethyl- 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, 4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Di-tert-butylthiepin, 4,5-dimethyl- 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, 4,5-dimethyl-?
The CAS number of 2,7-Di-tert-butylthiepin, 4,5-dimethyl- is 84477-45-2.
What is the molecular formula of 2,7-Di-tert-butylthiepin, 4,5-dimethyl-?
The molecular formula of 2,7-Di-tert-butylthiepin, 4,5-dimethyl- is C16H26S.
What is the molecular weight of 2,7-Di-tert-butylthiepin, 4,5-dimethyl-?
The molecular weight of 2,7-Di-tert-butylthiepin, 4,5-dimethyl- is 250.18 g/mol.
Where can I buy 2,7-Di-tert-butylthiepin, 4,5-dimethyl-?
You can request a quote for 2,7-Di-tert-butylthiepin, 4,5-dimethyl- 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, 4,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Di-tert-butylthiepin, 4,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.