C19H19Cl2N3O3.ClH.1/2H2O
TL;DR: C19H19Cl2N3O3.ClH.1/2H2O (CAS 76337-92-3) is a chemical compound with molecular formula C19H20Cl3N3O3 and molecular weight 443.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-(2-aminoacetyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]propanamide;hydrochloride
Also Known As: C19H19Cl2N3O3.ClH.1/2H2O, C19-H19-Cl2-N3-O3.Cl-H.1/2H2-O, Propionanilide, 2-(2-aminoacetamido)-4'-chloro-2'-(o-chlorobenzoyl)-N-methyl-, hydrochloride,hemihydrate, (2S)-N-(2-aminoacetyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]propanamide hydrochloride, N-(Aminoacetyl)-N~2~-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N~2~-methyl-L-alaninamide--hydrogen chloride (1/1)
| Molecular Formula | C19H20Cl3N3O3 |
|---|---|
| Molecular Weight | 443.06 g/mol |
| LogP | 3.0724 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.05704 |
| Heavy Atoms | 28 |
| Complexity | 889.7227 |
Chemical Identifiers
| CAS Number | 76337-92-3 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)CN)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl.Cl |
Product Overview
C19H19Cl2N3O3.ClH.1/2H2O (CAS 76337-92-3), with molecular formula C19H20Cl3N3O3 and molecular weight 443.06 g/mol. IUPAC: (2S)-N-(2-aminoacetyl)-2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]propanamide;hydrochloride.
Chemical Property Profile of C19H19Cl2N3O3.ClH.1/2H2O
Property Insights of C19H19Cl2N3O3.ClH.1/2H2O
The XLogP value of 3.0724 indicates that C19H19Cl2N3O3.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H19Cl2N3O3.ClH.1/2H2O. Following Lipinski's Rule of Five, C19H19Cl2N3O3.ClH.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 C19H19Cl2N3O3.ClH.1/2H2O?
The CAS number of C19H19Cl2N3O3.ClH.1/2H2O is 76337-92-3.
What is the molecular formula of C19H19Cl2N3O3.ClH.1/2H2O?
The molecular formula of C19H19Cl2N3O3.ClH.1/2H2O is C19H20Cl3N3O3.
What is the molecular weight of C19H19Cl2N3O3.ClH.1/2H2O?
The molecular weight of C19H19Cl2N3O3.ClH.1/2H2O is 443.06 g/mol.
Where can I buy C19H19Cl2N3O3.ClH.1/2H2O?
You can request a quote for C19H19Cl2N3O3.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H19Cl2N3O3.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C19H19Cl2N3O3.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.