C19H20ClNOS.H2O4S.1/2H2O
TL;DR: C19H20ClNOS.H2O4S.1/2H2O (CAS 77602-64-3) is a chemical compound with molecular formula C19H22ClNO5S2 and molecular weight 443.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;sulfuric acid
Also Known As: C19H20ClNOS.H2O4S.1/2H2O, 1-Propanamine, 3-(2-chloro-6-methoxy-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (E)-, sulfate, hydrate (2:2:1), C19-H20-Cl-N-O-S.H2-O4-S.1/2H2-O, (E)-2-Chloro-6-methoxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen sulfate hemihydrate, (3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine,sulfuric acid
| Molecular Formula | C19H22ClNO5S2 |
|---|---|
| Molecular Weight | 443.06 g/mol |
| LogP | 4.5438 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.0628 |
| Heavy Atoms | 28 |
| Complexity | 966.2844 |
Chemical Identifiers
| CAS Number | 77602-64-3 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=C(C=C(C=C2)OC)SC3=C1C=C(C=C3)Cl.OS(=O)(=O)O |
Product Overview
C19H20ClNOS.H2O4S.1/2H2O (CAS 77602-64-3), with molecular formula C19H22ClNO5S2 and molecular weight 443.06 g/mol. IUPAC: (3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;sulfuric acid.
Chemical Property Profile of C19H20ClNOS.H2O4S.1/2H2O
Property Insights of C19H20ClNOS.H2O4S.1/2H2O
The XLogP value of 4.5438 indicates that C19H20ClNOS.H2O4S.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H20ClNOS.H2O4S.1/2H2O. Following Lipinski's Rule of Five, C19H20ClNOS.H2O4S.1/2H2O 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 C19H20ClNOS.H2O4S.1/2H2O?
The CAS number of C19H20ClNOS.H2O4S.1/2H2O is 77602-64-3.
What is the molecular formula of C19H20ClNOS.H2O4S.1/2H2O?
The molecular formula of C19H20ClNOS.H2O4S.1/2H2O is C19H22ClNO5S2.
What is the molecular weight of C19H20ClNOS.H2O4S.1/2H2O?
The molecular weight of C19H20ClNOS.H2O4S.1/2H2O is 443.06 g/mol.
Where can I buy C19H20ClNOS.H2O4S.1/2H2O?
You can request a quote for C19H20ClNOS.H2O4S.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H20ClNOS.H2O4S.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C19H20ClNOS.H2O4S.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.