![[Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate structure](/static/products/7369/736957-40-7.webp)
[Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
TL;DR: [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate (CAS 736957-40-7) is a chemical compound with molecular formula C19H21ClN2O3 and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
Also Known As: [benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate, [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
| Molecular Formula | C19H21ClN2O3 |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 3.7191 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.12408 |
| Heavy Atoms | 25 |
| Complexity | 724.5845 |
Chemical Identifiers
| CAS Number | 736957-40-7 |
|---|---|
| SMILES | CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl |
Product Overview
[Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate (CAS 736957-40-7), with molecular formula C19H21ClN2O3 and molecular weight 360.12 g/mol. IUPAC: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.
Chemical Property Profile of [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
Property Insights of [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
The XLogP value of 3.7191 indicates that [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate has 0 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 [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The CAS number of [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is 736957-40-7.
What is the molecular formula of [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The molecular formula of [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is C19H21ClN2O3.
What is the molecular weight of [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The molecular weight of [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is 360.12 g/mol.
Where can I buy [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
You can request a quote for [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [Benzyl(tert-butyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.