1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride
TL;DR: 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride (CAS 70341-36-5) is a chemical compound with molecular formula C17H16ClN3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole;hydrochloride
Also Known As: 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride, 3-(4-(1,4,5,6-Tetrahydro-2-pyrimidinyl)phenyl)-1,2-benzisothiazole hydrochloride, 3-(4-(Tetrahydropyrimidin-2-yl)phenyl)-1,2-benzisothiazol-hydrochlorid [German], 3-(4-(Tetrahydropyrimidin-2-yl)phenyl)-1,2-benzisothiazol-hydrochlorid, 3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole hydrochloride
| Molecular Formula | C17H16ClN3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 4.125 |
| Topological Polar Surface Area | 37.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.07535 |
| Heavy Atoms | 22 |
| Complexity | 808.1419 |
Chemical Identifiers
| CAS Number | 70341-36-5 |
|---|---|
| SMILES | C1CNC(=NC1)C2=CC=C(C=C2)C3=NSC4=CC=CC=C43.Cl |
Product Overview
1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride (CAS 70341-36-5), with molecular formula C17H16ClN3S and molecular weight 329.08 g/mol. IUPAC: 3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole;hydrochloride.
Chemical Property Profile of 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride
Property Insights of 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride
The XLogP value of 4.125 indicates that 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.28 Ų, 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride has 1 hydrogen bond donor(s) and 4 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 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride?
The CAS number of 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride is 70341-36-5.
What is the molecular formula of 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride?
The molecular formula of 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride is C17H16ClN3S.
What is the molecular weight of 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride?
The molecular weight of 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride is 329.08 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride?
You can request a quote for 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.