2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
TL;DR: 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) (CAS 61982-28-3) is a chemical compound with molecular formula C14H22ClNS and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-4,4-dimethyl-2,3-dihydro-1,3-benzothiazine;hydrochloride
Also Known As: 2-Butyl-4,4-dimethyl-2,3-dihydro-4H-1,3-benzothiazine hydrochloride, 4H-1,3-Benzothiazine, 2,3-dihydro-2-butyl-4,4-dimethyl-, hydrochloride, 2-butyl-4,4-dimethyl-2,3-dihydro-1,3-benzothiazine hydrochloride, 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1), RefChem:1062682
| Molecular Formula | C14H22ClNS |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 4.5551 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.11615 |
| Heavy Atoms | 17 |
| Complexity | 364.99478 |
Chemical Identifiers
| CAS Number | 61982-28-3 |
|---|---|
| SMILES | CCCCC1NC(C2=CC=CC=C2S1)(C)C.Cl |
Product Overview
2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) (CAS 61982-28-3), with molecular formula C14H22ClNS and molecular weight 271.12 g/mol. IUPAC: 2-butyl-4,4-dimethyl-2,3-dihydro-1,3-benzothiazine;hydrochloride.
Chemical Property Profile of 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
Property Insights of 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
The XLogP value of 4.5551 indicates that 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 2 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 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)?
The CAS number of 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) is 61982-28-3.
What is the molecular formula of 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)?
The molecular formula of 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) is C14H22ClNS.
What is the molecular weight of 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)?
The molecular weight of 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) is 271.12 g/mol.
Where can I buy 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)?
You can request a quote for 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.