RefChem:368920
TL;DR: RefChem:368920 (CAS 117829-28-4) is a chemical compound with molecular formula C19H28ClN3OS and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenol;hydrochloride
Also Known As: 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-6,7-dihydro-2H-imidazo(2,1-b)(1,3,4)thiadiazine HCl, Phenol, 2,6-bis(1,1-dimethylethyl)-4-(6,7-dihydro-2H-imidazo(2,1-b)(1,3,4)thiadiazin-3-yl)-, hydrochloride, 2,6-Di-tert-butyl-4-(6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-3(4H)-ylidene)cyclohexa-2,5-dien-1-one--hydrogen chloride (1/1), 2,6-ditert-butyl-4-(6,7-dihydro-4H-imidazo[2,1-b][1,3,4]thiadiazin-3-ylidene)cyclohexa-2,5-dien-1-one hydrochloride, RefChem:368920
| Molecular Formula | C19H28ClN3OS |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 4.5315 |
| Topological Polar Surface Area | 48.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 381.16415 |
| Heavy Atoms | 25 |
| Complexity | 694.16034 |
Chemical Identifiers
| CAS Number | 117829-28-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN3CCN=C3SC2.Cl |
Product Overview
RefChem:368920 (CAS 117829-28-4), with molecular formula C19H28ClN3OS and molecular weight 381.16 g/mol. IUPAC: 2,6-ditert-butyl-4-(6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenol;hydrochloride.
Chemical Property Profile of RefChem:368920
Property Insights of RefChem:368920
The XLogP value of 4.5315 indicates that RefChem:368920 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.19 Ų, RefChem:368920 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:368920 has 1 hydrogen bond donor(s) and 5 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 RefChem:368920?
The CAS number of RefChem:368920 is 117829-28-4.
What is the molecular formula of RefChem:368920?
The molecular formula of RefChem:368920 is C19H28ClN3OS.
What is the molecular weight of RefChem:368920?
The molecular weight of RefChem:368920 is 381.16 g/mol.
Where can I buy RefChem:368920?
You can request a quote for RefChem:368920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:368920?
Yes, KEHONG BIO provides custom synthesis services for RefChem:368920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.