Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester
TL;DR: Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester (CAS 82585-89-5) is a chemical compound with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5-amino-3-[(4-chloro-N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Also Known As: Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester, Ethyl (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)carbamate, Ethyl (5-amino-3-{[(4-chlorophenyl)(methyl)amino]methyl}-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate, ethyl N-[5-amino-3-[(4-chloro-N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
| Molecular Formula | C18H21ClN6O2 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.14145 |
| Heavy Atoms | 27 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 82585-89-5 |
|---|---|
| SMILES | CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)CN(C)C3=CC=C(C=C3)Cl)N |
| InChIKey | WFGUUZFDPSFSLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester (CAS 82585-89-5), with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol. IUPAC: ethyl N-[5-amino-3-[(4-chloro-N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.
Chemical Property Profile of Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester
Property Insights of Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester has 3 hydrogen bond donor(s) and 7 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 Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester?
The CAS number of Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester is 82585-89-5.
What is the molecular formula of Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester?
The molecular formula of Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester is C18H21ClN6O2.
What is the molecular weight of Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester?
The molecular weight of Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester is 388.14 g/mol.
Where can I buy Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester?
You can request a quote for Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (5-amino-3-(((4-chlorophenyl)methylamino)methyl)-1,2-dihydropyrido(3,4-b)pyrazn-7-yl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.