![methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate structure](/static/products/1164/1164561-70-9.webp)
methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate
TL;DR: methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate (CAS 1164561-70-9) is a chemical compound with molecular formula C20H22N4O6S2 and molecular weight 478.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxyethyl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate
Also Known As: methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate, (Z)-methyl 3-(2-methoxyethyl)-2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate, methyl 3-(2-methoxyethyl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C20H22N4O6S2 |
|---|---|
| Molecular Weight | 478.10 g/mol |
| LogP | 2.23142 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.09808 |
| Heavy Atoms | 32 |
| Complexity | 1196.3792 |
Chemical Identifiers
| CAS Number | 1164561-70-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCOC |
Product Overview
methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate (CAS 1164561-70-9), with molecular formula C20H22N4O6S2 and molecular weight 478.10 g/mol. IUPAC: methyl 3-(2-methoxyethyl)-2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate
Property Insights of methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.23142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate. The TPSA of 125.02 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate has 1 hydrogen bond donor(s) and 9 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 methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The CAS number of methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate is 1164561-70-9.
What is the molecular formula of methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The molecular formula of methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate is C20H22N4O6S2.
What is the molecular weight of methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
The molecular weight of methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate is 478.10 g/mol.
Where can I buy methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
You can request a quote for methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.