C14H20N2O3S.ClH
TL;DR: C14H20N2O3S.ClH (CAS 42024-63-5) is a chemical compound with molecular formula C14H21ClN2O3S and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[amino-[[5-(2-methoxy-2-oxoethyl)-2-propoxyphenyl]methylsulfanyl]methylidene]azanium chloride
Also Known As: 3-(((Aminoiminomethyl)thio)methyl)-4-propoxybenzeneacetic acid methylester monohydrochloride, [amino-[[5-(2-methoxy-2-oxoethyl)-2-propoxyphenyl]methylsulfanyl]methylidene]azanium chloride, Benzeneacetic acid, 3-(((aminoiminomethyl)thio)methyl)-4-propoxy-, methyl ester, monohydrochloride
| Molecular Formula | C14H21ClN2O3S |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 332.09613 |
| Heavy Atoms | 21 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 42024-63-5 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=[NH2+])N.[Cl-] |
| InChIKey | AJRODWWJXBNZOA-UHFFFAOYSA-N |
Product Overview
C14H20N2O3S.ClH (CAS 42024-63-5), with molecular formula C14H21ClN2O3S and molecular weight 332.10 g/mol. IUPAC: [amino-[[5-(2-methoxy-2-oxoethyl)-2-propoxyphenyl]methylsulfanyl]methylidene]azanium chloride.
Chemical Property Profile of C14H20N2O3S.ClH
Property Insights of C14H20N2O3S.ClH
The XLogP value of -2.5 indicates that C14H20N2O3S.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H20N2O3S.ClH. Following Lipinski's Rule of Five, C14H20N2O3S.ClH 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 C14H20N2O3S.ClH?
The CAS number of C14H20N2O3S.ClH is 42024-63-5.
What is the molecular formula of C14H20N2O3S.ClH?
The molecular formula of C14H20N2O3S.ClH is C14H21ClN2O3S.
What is the molecular weight of C14H20N2O3S.ClH?
The molecular weight of C14H20N2O3S.ClH is 332.10 g/mol.
Where can I buy C14H20N2O3S.ClH?
You can request a quote for C14H20N2O3S.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H20N2O3S.ClH?
Yes, KEHONG BIO provides custom synthesis services for C14H20N2O3S.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.