RefChem:596308
TL;DR: RefChem:596308 (CAS 125630-94-6) is a chemical compound with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(3S)-5-chloro-3-[[4-(diethylamino)-2-methylphenyl]iminomethyl]-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]carbamate
Also Known As: EC 414-820-5, ethyl N-(5-chloro-3-(4-(diethylamino)-2-methylphenylimino)-4-methyl-6-oxo-1,4-cyclohexadienyl)carbamate, ethyl N-[(3S)-5-chloro-3-[[4-(diethylamino)-2-methylphenyl]iminomethyl]-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]carbamate, Carbamic acid, (5-chloro-3-((4-(diethylamino)-2-methylphenyl)imino)-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)-, ethyl ester, Carbamic acid, N-(5-chloro-3-((4-(diethylamino)-2-methylphenyl)imino)-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)-, ethyl ester
| Molecular Formula | C22H28ClN3O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 4.88522 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.18192 |
| Heavy Atoms | 29 |
| Complexity | 870.0535 |
Chemical Identifiers
| CAS Number | 125630-94-6 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)N=C[C@H]2C=C(C(=O)C(=C2C)Cl)NC(=O)OCC)C |
Product Overview
RefChem:596308 (CAS 125630-94-6), with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol. IUPAC: ethyl N-[(3S)-5-chloro-3-[[4-(diethylamino)-2-methylphenyl]iminomethyl]-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]carbamate.
Chemical Property Profile of RefChem:596308
Property Insights of RefChem:596308
The XLogP value of 4.88522 indicates that RefChem:596308 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:596308. Following Lipinski's Rule of Five, RefChem:596308 has 1 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 RefChem:596308?
The CAS number of RefChem:596308 is 125630-94-6.
What is the molecular formula of RefChem:596308?
The molecular formula of RefChem:596308 is C22H28ClN3O3.
What is the molecular weight of RefChem:596308?
The molecular weight of RefChem:596308 is 417.18 g/mol.
Where can I buy RefChem:596308?
You can request a quote for RefChem:596308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:596308?
Yes, KEHONG BIO provides custom synthesis services for RefChem:596308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.