C18H19ClN2.C4H4O4
TL;DR: C18H19ClN2.C4H4O4 (CAS 30454-12-7) is a chemical compound with molecular formula C22H23ClN2O4 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-(2-chloro-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine
Also Known As: 5H-Dibenz(b,f)azepine, 7-chloro-10-(2-(methylamino)ethyl)-5-methyl-, fumarate, 7-Chloro-10-(2-(methylamino)ethyl)-5-methyl-5H-dibenz(b,f)azepine fumarate
| Molecular Formula | C22H23ClN2O4 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 4.2832 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.13464 |
| Heavy Atoms | 29 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 30454-12-7 |
|---|---|
| SMILES | CNCCC1=CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)C.C(=CC(=O)O)C(=O)O |
| InChIKey | ZVYOCDNCNDFHAJ-UHFFFAOYSA-N |
Product Overview
C18H19ClN2.C4H4O4 (CAS 30454-12-7), with molecular formula C22H23ClN2O4 and molecular weight 414.13 g/mol. IUPAC: but-2-enedioic acid;2-(2-chloro-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine.
Chemical Property Profile of C18H19ClN2.C4H4O4
Property Insights of C18H19ClN2.C4H4O4
The XLogP value of 4.2832 indicates that C18H19ClN2.C4H4O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H19ClN2.C4H4O4. Following Lipinski's Rule of Five, C18H19ClN2.C4H4O4 has 3 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 C18H19ClN2.C4H4O4?
The CAS number of C18H19ClN2.C4H4O4 is 30454-12-7.
What is the molecular formula of C18H19ClN2.C4H4O4?
The molecular formula of C18H19ClN2.C4H4O4 is C22H23ClN2O4.
What is the molecular weight of C18H19ClN2.C4H4O4?
The molecular weight of C18H19ClN2.C4H4O4 is 414.13 g/mol.
Where can I buy C18H19ClN2.C4H4O4?
You can request a quote for C18H19ClN2.C4H4O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H19ClN2.C4H4O4?
Yes, KEHONG BIO provides custom synthesis services for C18H19ClN2.C4H4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.