(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid
TL;DR: (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid (CAS 797781-76-1) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid
Also Known As: BAS 09114369, (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid, (3a,4,5,6,7,7a-Hexahydro-1H-benzoimidazol-2-ylsulfanyl)-acetic acid, 2-((3A,4,5,6,7,7a-hexahydro-1H-benzo[d]imidazol-2-yl)thio)acetic acid, 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid
| Molecular Formula | C9H14N2O2S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 1.0746 |
| Topological Polar Surface Area | 61.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.0776 |
| Heavy Atoms | 14 |
| Complexity | 267.53757 |
Chemical Identifiers
| CAS Number | 797781-76-1 |
|---|---|
| SMILES | C1CCC2C(C1)NC(=N2)SCC(=O)O |
Product Overview
(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid (CAS 797781-76-1), with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol. IUPAC: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid.
Chemical Property Profile of (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid
Property Insights of (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid
The XLogP value of 1.0746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid. The TPSA of 61.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid. Following Lipinski's Rule of Five, (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid has 2 hydrogen bond donor(s) and 4 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 (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid?
The CAS number of (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid is 797781-76-1.
What is the molecular formula of (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid?
The molecular formula of (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid is C9H14N2O2S.
What is the molecular weight of (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid?
The molecular weight of (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid is 214.08 g/mol.
Where can I buy (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid?
You can request a quote for (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.