![{benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate structure](/static/products/808/808179-01-3.png)
{benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
TL;DR: {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate (CAS 808179-01-3) is a chemical compound with molecular formula C22H20ClN3O5S and molecular weight 473.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[benzyl-[2-(6-chloropyridine-3-carbonyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate, ethyl 2-[benzyl-[2-(6-chloropyridine-3-carbonyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C22H20ClN3O5S |
|---|---|
| Molecular Weight | 473.08 g/mol |
| LogP | 4.06682 |
| Topological Polar Surface Area | 98.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.0812 |
| Heavy Atoms | 32 |
| Complexity | 1102.5139 |
Chemical Identifiers
| CAS Number | 808179-01-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CN=C(C=C3)Cl)C |
Product Overview
{benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate (CAS 808179-01-3), with molecular formula C22H20ClN3O5S and molecular weight 473.08 g/mol. IUPAC: ethyl 2-[benzyl-[2-(6-chloropyridine-3-carbonyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
Property Insights of {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
The XLogP value of 4.06682 indicates that {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.69 Ų falls within the moderate polarity range, balancing permeability and solubility for {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 8 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[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate?
The CAS number of {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate is 808179-01-3.
What is the molecular formula of {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate?
The molecular formula of {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate is C22H20ClN3O5S.
What is the molecular weight of {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate?
The molecular weight of {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate is 473.08 g/mol.
Where can I buy {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate?
You can request a quote for {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]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[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for {benzyl[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}methyl 6-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.