A-49816 hydrochloride
TL;DR: A-49816 hydrochloride (CAS 78235-46-8) is a chemical compound with molecular formula C18H18Cl3NO5 and molecular weight 433.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[3-(aminomethyl)-4-hydroxybenzoyl]-2,3-dichlorophenoxy]acetate;hydrochloride
Also Known As: A-49816 hydrochloride, Abbott 49816, A 49816 HYDROCHLORIDE, A-49816 HCL, ABBOTT 49816 HYDROCHLORIDE
| Molecular Formula | C18H18Cl3NO5 |
|---|---|
| Molecular Weight | 433.03 g/mol |
| LogP | 3.7524 |
| Topological Polar Surface Area | 98.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.02505 |
| Heavy Atoms | 27 |
| Complexity | 841.98706 |
Chemical Identifiers
| CAS Number | 78235-46-8 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C(=C(C=C1)C(=O)C2=CC(=C(C=C2)O)CN)Cl)Cl.Cl |
Product Overview
A-49816 hydrochloride (CAS 78235-46-8), with molecular formula C18H18Cl3NO5 and molecular weight 433.03 g/mol. IUPAC: ethyl 2-[4-[3-(aminomethyl)-4-hydroxybenzoyl]-2,3-dichlorophenoxy]acetate;hydrochloride.
Chemical Property Profile of A-49816 hydrochloride
Property Insights of A-49816 hydrochloride
The XLogP value of 3.7524 indicates that A-49816 hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.85 Ų falls within the moderate polarity range, balancing permeability and solubility for A-49816 hydrochloride. Following Lipinski's Rule of Five, A-49816 hydrochloride has 2 hydrogen bond donor(s) and 6 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 A-49816 hydrochloride?
The CAS number of A-49816 hydrochloride is 78235-46-8.
What is the molecular formula of A-49816 hydrochloride?
The molecular formula of A-49816 hydrochloride is C18H18Cl3NO5.
What is the molecular weight of A-49816 hydrochloride?
The molecular weight of A-49816 hydrochloride is 433.03 g/mol.
Where can I buy A-49816 hydrochloride?
You can request a quote for A-49816 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-49816 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for A-49816 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.