C13H18ClNO3.ClH
TL;DR: C13H18ClNO3.ClH (CAS 64046-49-7) is a chemical compound with molecular formula C13H19Cl2NO3 and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyethyl-dimethylazanium chloride
Also Known As: (4-Chloro-o-tolyloxy)acetic acid 2-dimethylaminoethyl ester hydrochloride, 2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyethyl-dimethylazanium chloride, ACETIC ACID, (4-CHLORO-o-TOLYLOXY)-, 2-DIMETHYLAMINOETHYL ESTER, HYDROCHLORIDE, Acetic acid, (4-chloro-2-methylphenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride, Acetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)
| Molecular Formula | C13H19Cl2NO3 |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | -2.28 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.0742 |
| Heavy Atoms | 19 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 64046-49-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | FVIGHDKAWKVPOT-UHFFFAOYSA-N |
Product Overview
C13H18ClNO3.ClH (CAS 64046-49-7), with molecular formula C13H19Cl2NO3 and molecular weight 307.07 g/mol. IUPAC: 2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyethyl-dimethylazanium chloride.
Chemical Property Profile of C13H18ClNO3.ClH
Property Insights of C13H18ClNO3.ClH
The XLogP value of -2.28 indicates that C13H18ClNO3.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, C13H18ClNO3.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H18ClNO3.ClH 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 C13H18ClNO3.ClH?
The CAS number of C13H18ClNO3.ClH is 64046-49-7.
What is the molecular formula of C13H18ClNO3.ClH?
The molecular formula of C13H18ClNO3.ClH is C13H19Cl2NO3.
What is the molecular weight of C13H18ClNO3.ClH?
The molecular weight of C13H18ClNO3.ClH is 307.07 g/mol.
Where can I buy C13H18ClNO3.ClH?
You can request a quote for C13H18ClNO3.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H18ClNO3.ClH?
Yes, KEHONG BIO provides custom synthesis services for C13H18ClNO3.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.