RefChem:1073455
TL;DR: RefChem:1073455 (CAS 50626-32-9) is a chemical compound with molecular formula C20H18ClNO4 and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;12-chloro-16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
Also Known As: dl-8-Chloro-12-methyl-10,11-dihydro-5,10-imino-(5H)-dibenzo(a,d)cycloheptene fumarate, 5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-8-chloro-12-methyl-, (+-)-, (E)-2-butenedioate (1:1), RefChem:1073455
| Molecular Formula | C20H18ClNO4 |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 3.6838 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.09244 |
| Heavy Atoms | 26 |
| Complexity | 877.12994 |
Chemical Identifiers
| CAS Number | 50626-32-9 |
|---|---|
| SMILES | CN1C2CC3=CC=CC=C3C1C4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073455 (CAS 50626-32-9), with molecular formula C20H18ClNO4 and molecular weight 371.09 g/mol. IUPAC: (E)-but-2-enedioic acid;12-chloro-16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene.
Chemical Property Profile of RefChem:1073455
Property Insights of RefChem:1073455
The XLogP value of 3.6838 indicates that RefChem:1073455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073455. Following Lipinski's Rule of Five, RefChem:1073455 has 2 hydrogen bond donor(s) and 3 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 RefChem:1073455?
The CAS number of RefChem:1073455 is 50626-32-9.
What is the molecular formula of RefChem:1073455?
The molecular formula of RefChem:1073455 is C20H18ClNO4.
What is the molecular weight of RefChem:1073455?
The molecular weight of RefChem:1073455 is 371.09 g/mol.
Where can I buy RefChem:1073455?
You can request a quote for RefChem:1073455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073455?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.