RefChem:1057857
TL;DR: RefChem:1057857 (CAS 62467-99-6) is a chemical compound with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[2-[hydroxy(phenyl)methyl]-3H-benzimidazol-5-yl]acetic acid
Also Known As: 2-(Hydroxyphenylmethyl)-1H-benzimidazole-5-acetic acid (Z)-2-butenedioate (1:1) (salt), 1H-Benzimidazole-5-acetic acid, 2-(hydroxyphenylmethyl)-, (Z)-2-butenedioate (1:1) (salt), {2-[Hydroxy(phenyl)methyl]-1H-benzimidazol-6-yl}acetic acid (2E)-2-butenedioate, (E)-but-2-enedioic acid; 2-[2-[hydroxy(phenyl)methyl]-3H-benzimidazol-5-yl]acetic acid, RefChem:1057857
| Molecular Formula | C20H18N2O7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 1.9835 |
| Topological Polar Surface Area | 160.81 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1114 |
| Heavy Atoms | 29 |
| Complexity | 1025.4242 |
Chemical Identifiers
| CAS Number | 62467-99-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=NC3=C(N2)C=C(C=C3)CC(=O)O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057857 (CAS 62467-99-6), with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[2-[hydroxy(phenyl)methyl]-3H-benzimidazol-5-yl]acetic acid.
Chemical Property Profile of RefChem:1057857
Property Insights of RefChem:1057857
The XLogP value of 1.9835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057857. The TPSA of 160.81 Ų indicates high polarity, suggesting RefChem:1057857 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057857 has 5 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 RefChem:1057857?
The CAS number of RefChem:1057857 is 62467-99-6.
What is the molecular formula of RefChem:1057857?
The molecular formula of RefChem:1057857 is C20H18N2O7.
What is the molecular weight of RefChem:1057857?
The molecular weight of RefChem:1057857 is 398.11 g/mol.
Where can I buy RefChem:1057857?
You can request a quote for RefChem:1057857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057857?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.