![Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate structure](/static/products/8821/88217-97-4.webp)
Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate
TL;DR: Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate (CAS 88217-97-4) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[6-(4-hydroxyphenyl)sulfinyl-1H-benzimidazol-2-yl]carbamate
Also Known As: Isodityrosine, 8,9-epthio-1-p-menthene, Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate, methyl{6-[(4-hydroxyphenyl)sulfinyl]-1h-benzimidazol-2-yl}carbamate, methyl N-[6-(4-hydroxyphenyl)sulfinyl-1H-benzimidazol-2-yl]carbamate
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 88217-97-4 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=C(C=C3)O |
| InChIKey | QEYHVNPMQVDJPV-UHFFFAOYSA-N |
Product Overview
Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate (CAS 88217-97-4), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: methyl N-[6-(4-hydroxyphenyl)sulfinyl-1H-benzimidazol-2-yl]carbamate.
Chemical Property Profile of Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate
Property Insights of Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate. Following Lipinski's Rule of Five, Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate has 3 hydrogen bond donor(s) and 6 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 Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate?
The CAS number of Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate is 88217-97-4.
What is the molecular formula of Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate?
The molecular formula of Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate is C15H13N3O4S.
What is the molecular weight of Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate?
The molecular weight of Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate is 331.06 g/mol.
Where can I buy Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate?
You can request a quote for Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (5-((4-hydroxyphenyl)sulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.