C16H22ClNO3.ClH
TL;DR: C16H22ClNO3.ClH (CAS 71783-90-9) is a chemical compound with molecular formula C16H23Cl2NO3 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-ium-1-yl)ethyl 2-(4-chlorophenoxy)acetate chloride
Also Known As: Ethanol,2-(dodecylmethyloxidoamino), Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, (4-Chlorophenoxy)acetic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride, 2-(azepan-1-yl)ethyl 2-(4-chlorophenoxy)acetate hydrochloride, 2-(azepan-1-ium-1-yl)ethyl 2-(4-chlorophenoxy)acetate chloride
| Molecular Formula | C16H23Cl2NO3 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | -1.28 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.1055 |
| Heavy Atoms | 22 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 71783-90-9 |
|---|---|
| SMILES | C1CCC[NH+](CC1)CCOC(=O)COC2=CC=C(C=C2)Cl.[Cl-] |
| InChIKey | HZOXOFGNIWMWQZ-UHFFFAOYSA-N |
Product Overview
C16H22ClNO3.ClH (CAS 71783-90-9), with molecular formula C16H23Cl2NO3 and molecular weight 347.11 g/mol. IUPAC: 2-(azepan-1-ium-1-yl)ethyl 2-(4-chlorophenoxy)acetate chloride.
Chemical Property Profile of C16H22ClNO3.ClH
Property Insights of C16H22ClNO3.ClH
The XLogP value of -1.28 indicates that C16H22ClNO3.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, C16H22ClNO3.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H22ClNO3.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 C16H22ClNO3.ClH?
The CAS number of C16H22ClNO3.ClH is 71783-90-9.
What is the molecular formula of C16H22ClNO3.ClH?
The molecular formula of C16H22ClNO3.ClH is C16H23Cl2NO3.
What is the molecular weight of C16H22ClNO3.ClH?
The molecular weight of C16H22ClNO3.ClH is 347.11 g/mol.
Where can I buy C16H22ClNO3.ClH?
You can request a quote for C16H22ClNO3.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H22ClNO3.ClH?
Yes, KEHONG BIO provides custom synthesis services for C16H22ClNO3.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.