Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester
TL;DR: Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester (CAS 67026-76-0) is a chemical compound with molecular formula C14H22N4O2 and molecular weight 278.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]carbamate
Also Known As: N''-Carbethoxy-N-tert-pentyl-N'-3-pyridylguanidine, Guanidine, 2-carbethoxy-1-tert-pentyl-3-(3-pyridyl)-, N-((tert-Pentylamino)(3-pyridylamino)methylene)carbamic acid ethyl ester, CARBAMIC ACID, N-((tert-PENTYLAMINO)(3-PYRIDYLAMINO)METHYLENE)-, ETHYL ESTER, Ethyl [N'-(2-methyl-2-butanyl)-N-(3-pyridinyl)carbamimidoyl]carbamate
| Molecular Formula | C14H22N4O2 |
|---|---|
| Molecular Weight | 278.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.1743 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 67026-76-0 |
|---|---|
| SMILES | CCC(C)(C)N=C(NC1=CN=CC=C1)NC(=O)OCC |
| InChIKey | ZXZNOYYBACIEFA-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester (CAS 67026-76-0), with molecular formula C14H22N4O2 and molecular weight 278.17 g/mol. IUPAC: ethyl N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]carbamate.
Chemical Property Profile of Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester
Property Insights of Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester. Following Lipinski's Rule of Five, Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester has 2 hydrogen bond donor(s) and 4 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, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester?
The CAS number of Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester is 67026-76-0.
What is the molecular formula of Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester?
The molecular formula of Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester is C14H22N4O2.
What is the molecular weight of Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester?
The molecular weight of Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester is 278.17 g/mol.
Where can I buy Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester?
You can request a quote for Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, 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, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.