(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate
TL;DR: (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate (CAS 848619-60-3) is a chemical compound with molecular formula C16H15ClN2O5S and molecular weight 382.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate, [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate, {[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
| Molecular Formula | C16H15ClN2O5S |
|---|---|
| Molecular Weight | 382.04 g/mol |
| LogP | 2.99544 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.03903 |
| Heavy Atoms | 25 |
| Complexity | 833.92773 |
Chemical Identifiers
| CAS Number | 848619-60-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=C(N=CC=C2)Cl)C |
Product Overview
(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate (CAS 848619-60-3), with molecular formula C16H15ClN2O5S and molecular weight 382.04 g/mol. IUPAC: [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate
Property Insights of (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate
The XLogP value of 2.99544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate has 1 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 (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate?
The CAS number of (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate is 848619-60-3.
What is the molecular formula of (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate?
The molecular formula of (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate is C16H15ClN2O5S.
What is the molecular weight of (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate?
The molecular weight of (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate is 382.04 g/mol.
Where can I buy (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate?
You can request a quote for (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-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 (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoylmethyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.