C12H18N2O4S.ClH.1/4C3H6O
TL;DR: C12H18N2O4S.ClH.1/4C3H6O (CAS 58497-88-4) is a chemical compound with molecular formula C12H19ClN2O4S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(1R)-2-(cyclopropylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride
Also Known As: C12H18N2O4S.ClH.1/4C3H6O, C12-H18-N2-O4-S.Cl-H.1/4C3-H6-O, Methanesulfonanilide, 5'-(2-(cyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-, hydrochloride, acetone, (-)-, (4:4:1), Methanesulfonanilide, 5'-(2-(cyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-, hydrochloride, N-[5-[(1R)-2-(cyclopropylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide hydrochloride
| Molecular Formula | C12H19ClN2O4S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 0.9709 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.0754 |
| Heavy Atoms | 20 |
| Complexity | 560.5758 |
Chemical Identifiers
| CAS Number | 58497-88-4 |
|---|---|
| SMILES | CS(=O)(=O)NC1=C(C=CC(=C1)[C@H](CNC2CC2)O)O.Cl |
Product Overview
C12H18N2O4S.ClH.1/4C3H6O (CAS 58497-88-4), with molecular formula C12H19ClN2O4S and molecular weight 322.08 g/mol. IUPAC: N-[5-[(1R)-2-(cyclopropylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride.
Chemical Property Profile of C12H18N2O4S.ClH.1/4C3H6O
Property Insights of C12H18N2O4S.ClH.1/4C3H6O
The XLogP value of 0.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H18N2O4S.ClH.1/4C3H6O. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H18N2O4S.ClH.1/4C3H6O. Following Lipinski's Rule of Five, C12H18N2O4S.ClH.1/4C3H6O has 4 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 C12H18N2O4S.ClH.1/4C3H6O?
The CAS number of C12H18N2O4S.ClH.1/4C3H6O is 58497-88-4.
What is the molecular formula of C12H18N2O4S.ClH.1/4C3H6O?
The molecular formula of C12H18N2O4S.ClH.1/4C3H6O is C12H19ClN2O4S.
What is the molecular weight of C12H18N2O4S.ClH.1/4C3H6O?
The molecular weight of C12H18N2O4S.ClH.1/4C3H6O is 322.08 g/mol.
Where can I buy C12H18N2O4S.ClH.1/4C3H6O?
You can request a quote for C12H18N2O4S.ClH.1/4C3H6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H18N2O4S.ClH.1/4C3H6O?
Yes, KEHONG BIO provides custom synthesis services for C12H18N2O4S.ClH.1/4C3H6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.