2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol
TL;DR: 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol (CAS 313506-98-8) is a chemical compound with molecular formula C13H13F5N2O2 and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydroxy-2-(2,3,4,5,6-pentafluorophenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
Also Known As: BAS 00139487, 2-Pentafluorophenyl-hexahydro-benzoimidazole-1,3-diol, 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol, 2-(pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol, 1,3-dihydroxy-2-(2,3,4,5,6-pentafluorophenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
| Molecular Formula | C13H13F5N2O2 |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.08972 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 313506-98-8 |
|---|---|
| SMILES | C1CCC2C(C1)N(C(N2O)C3=C(C(=C(C(=C3F)F)F)F)F)O |
| InChIKey | HTCXOWDCVVSXNB-UHFFFAOYSA-N |
Product Overview
2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol (CAS 313506-98-8), with molecular formula C13H13F5N2O2 and molecular weight 324.09 g/mol. IUPAC: 1,3-dihydroxy-2-(2,3,4,5,6-pentafluorophenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole.
Chemical Property Profile of 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol
Property Insights of 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol. With a topological polar surface area (TPSA) of 46.9 Ų, 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol has 2 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 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
The CAS number of 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol is 313506-98-8.
What is the molecular formula of 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
The molecular formula of 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol is C13H13F5N2O2.
What is the molecular weight of 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
The molecular weight of 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol is 324.09 g/mol.
Where can I buy 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
You can request a quote for 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3,4,5,6-Pentafluorophenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.