![{4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol structure](/static/products/2182/218288-31-4.webp)
{4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol
TL;DR: {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol (CAS 218288-31-4) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanol
Also Known As: {4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methanol, [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanol, 11N-664S
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 3.54672 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 596.14014 |
Chemical Identifiers
| CAS Number | 218288-31-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CO)[N+](=O)[O-] |
Product Overview
{4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol (CAS 218288-31-4), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanol.
Chemical Property Profile of {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol
Property Insights of {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol
The XLogP value of 3.54672 indicates that {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol. Following Lipinski's Rule of Five, {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol has 1 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 {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol?
The CAS number of {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol is 218288-31-4.
What is the molecular formula of {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol?
The molecular formula of {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol is C14H13NO3S.
What is the molecular weight of {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol?
The molecular weight of {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol is 275.06 g/mol.
Where can I buy {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol?
You can request a quote for {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol?
Yes, KEHONG BIO provides custom synthesis services for {4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.