RefChem:484757
TL;DR: RefChem:484757 (CAS 13581-52-7) is a chemical compound with molecular formula C16H20N2O3S2 and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylsulfonylphenyl)ethanol
Also Known As: N-(3-Aminopropyl)ethylenediamine, 3(2H)-Benzothiazoleethanol, 4,5,6,7-tetrahydro-2-imino-.alpha.-[4-(methylsulfonyl)phenyl]-, 3(2H)-Benzothiazoleethanol, 4,5,6,7-tetrahydro-2-imino-alpha-[4-(methylsulfonyl)phenyl]-, 4,5,6,7-Tetrahydro-2-imino-alpha-(p-mesylphenyl)benzothiazoline-3-ethanol, 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylsulfonylphenyl)ethanol
| Molecular Formula | C16H20N2O3S2 |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.09152 |
| Heavy Atoms | 23 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 13581-52-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(CN2C3=C(CCCC3)SC2=N)O |
| InChIKey | JOBSHVWSLVXORP-UHFFFAOYSA-N |
Product Overview
RefChem:484757 (CAS 13581-52-7), with molecular formula C16H20N2O3S2 and molecular weight 352.09 g/mol. IUPAC: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylsulfonylphenyl)ethanol.
Chemical Property Profile of RefChem:484757
Property Insights of RefChem:484757
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:484757. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:484757. Following Lipinski's Rule of Five, RefChem:484757 has 2 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:484757?
The CAS number of RefChem:484757 is 13581-52-7.
What is the molecular formula of RefChem:484757?
The molecular formula of RefChem:484757 is C16H20N2O3S2.
What is the molecular weight of RefChem:484757?
The molecular weight of RefChem:484757 is 352.09 g/mol.
Where can I buy RefChem:484757?
You can request a quote for RefChem:484757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:484757?
Yes, KEHONG BIO provides custom synthesis services for RefChem:484757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.