![methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate structure](/static/products/313/313670-18-7.png)
methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate
TL;DR: methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate (CAS 313670-18-7) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(diethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate
Also Known As: A1131/0052849, methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate, methyl 2-[2-(diethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate, methyl 2-((2-(diethylamino)-2-oxoethyl)thio)-1H-benzo[d]imidazole-1-carboxylate, METHYL 2-{[(DIETHYLCARBAMOYL)METHYL]SULFANYL}-1H-1,3-BENZODIAZOLE-1-CARBOXYLATE
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 313670-18-7 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC2=CC=CC=C2N1C(=O)OC |
| InChIKey | USIQDEPGMTTWME-UHFFFAOYSA-N |
Product Overview
methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate (CAS 313670-18-7), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: methyl 2-[2-(diethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate.
Chemical Property Profile of methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate
Property Insights of methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate. Following Lipinski's Rule of Five, methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate has 0 hydrogen bond donor(s) and 5 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 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate?
The CAS number of methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate is 313670-18-7.
What is the molecular formula of methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate?
The molecular formula of methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate is C15H19N3O3S.
What is the molecular weight of methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate?
The molecular weight of methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate is 321.11 g/mol.
Where can I buy methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate?
You can request a quote for methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.