2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol
TL;DR: 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol (CAS 302553-69-1) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dihydroxy-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-yl)phenol
Also Known As: AB00081408-01, AB00081408-03, 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol, 4-(1,3-dihydroxy-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-yl)phenol, 2-(4-hydroxyphenyl)hexahydro-1H-benzo[d]imidazole-1,3(2H)-diol
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.098 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 404.74945 |
Chemical Identifiers
| CAS Number | 302553-69-1 |
|---|---|
| SMILES | C1CCC2C(C1)N(C(N2O)C3=CC=C(C=C3)O)O |
Product Overview
2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol (CAS 302553-69-1), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 4-(1,3-dihydroxy-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-yl)phenol.
Chemical Property Profile of 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol
Property Insights of 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol
The XLogP value of 2.098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol. Following Lipinski's Rule of Five, 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol has 3 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 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
The CAS number of 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol is 302553-69-1.
What is the molecular formula of 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
The molecular formula of 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol is C13H18N2O3.
What is the molecular weight of 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
The molecular weight of 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol is 250.13 g/mol.
Where can I buy 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
You can request a quote for 2-(4-hydroxyphenyl)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-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-hydroxyphenyl)hexahydro-1H-benzimidazole-1,3(2H)-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.