Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester
TL;DR: Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester (CAS 313548-85-5) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate
Also Known As: Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester, isobutyl 2-((2-(dimethylamino)-2-oxoethyl)thio)-1H-benzo[d]imidazole-1-carboxylate, 2-methylpropyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate, 2-methylpropyl 2-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazole-1-carboxylate, Isobutyl 2-([2-(dimethylamino)-2-oxoethyl]sulfanyl)-1H-benzimidazole-1-carboxylate #
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 313548-85-5 |
|---|---|
| SMILES | CC(C)COC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N(C)C |
| InChIKey | LJBSTVLTPUILCP-UHFFFAOYSA-N |
Product Overview
Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester (CAS 313548-85-5), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: 2-methylpropyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate.
Chemical Property Profile of Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester
Property Insights of Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester
The XLogP value of 3.4 indicates that Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester. Following Lipinski's Rule of Five, Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester 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 Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester?
The CAS number of Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester is 313548-85-5.
What is the molecular formula of Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester?
The molecular formula of Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester is C16H21N3O3S.
What is the molecular weight of Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester?
The molecular weight of Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester is 335.13 g/mol.
Where can I buy Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester?
You can request a quote for Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.