RefChem:1080795
TL;DR: RefChem:1080795 (CAS 33400-47-4) is a chemical compound with molecular formula C22H25ClN4O2 and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-amino-6-(1,2-diphenylethylamino)-3-pyridinyl]carbamate;hydrochloride
Also Known As: Ethyl (2-amino-6-((1,2-diphenylethyl)amino)pyridin-3-yl)carbamate monohydrochloride, 3-Pyridinecarbamic acid, 2-amino-6-((1,2-diphenylethyl)amino)-, ethyl ester, monohydrochloride, ETHYL [2-AMINO-6-[(1,2-DIPHENYLETHYL)AMINO]PYRIDIN-3-YL]CARBAMATE MONOHYDROCHLORIDE, ethyl N-[2-amino-6-(1,2-diphenylethylamino)pyridin-3-yl]carbamate hydrochloride, ethyl N-[2-amino-6-(1,2-diphenylethylamino)pyridin-3-yl]carbamate,hydrochloride
| Molecular Formula | C22H25ClN4O2 |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 5.0499 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.1666 |
| Heavy Atoms | 29 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 33400-47-4 |
|---|---|
| SMILES | CCOC(=O)NC1=C(N=C(C=C1)NC(CC2=CC=CC=C2)C3=CC=CC=C3)N.Cl |
| InChIKey | XQWVQRJTEUTZRV-UHFFFAOYSA-N |
Product Overview
RefChem:1080795 (CAS 33400-47-4), with molecular formula C22H25ClN4O2 and molecular weight 412.17 g/mol. IUPAC: ethyl N-[2-amino-6-(1,2-diphenylethylamino)-3-pyridinyl]carbamate;hydrochloride.
Chemical Property Profile of RefChem:1080795
Property Insights of RefChem:1080795
The XLogP value of 5.0499 indicates that RefChem:1080795 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1080795. Following Lipinski's Rule of Five, RefChem:1080795 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1080795?
The CAS number of RefChem:1080795 is 33400-47-4.
What is the molecular formula of RefChem:1080795?
The molecular formula of RefChem:1080795 is C22H25ClN4O2.
What is the molecular weight of RefChem:1080795?
The molecular weight of RefChem:1080795 is 412.17 g/mol.
Where can I buy RefChem:1080795?
You can request a quote for RefChem:1080795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.