苯烯莫德
TL;DR: 苯烯莫德 (CAS 79338-84-4) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯烯莫德
5-(2-phenylethenyl)-2-propan-2-ylbenzene-1,3-diol
Also Known As: Benvitimod, Tapinarof, Benvitimod Impurity 2, 3,5-Dihydroxy-4-isopropylstilbene, 3,5-dihydroxy-4-i-propylstilbene
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 79338-84-4 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O |
| InChIKey | ZISJNXNHJRQYJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯烯莫德 (CAS 79338-84-4), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 5-(2-phenylethenyl)-2-propan-2-ylbenzene-1,3-diol.
Chemical Property Profile of 苯烯莫德
Property Insights of 苯烯莫德
The XLogP value of 4.6 indicates that 苯烯莫德 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 苯烯莫德 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯烯莫德 has 2 hydrogen bond donor(s) and 2 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 苯烯莫德?
The CAS number of 苯烯莫德 is 79338-84-4.
What is the molecular formula of 苯烯莫德?
The molecular formula of 苯烯莫德 is C17H18O2.
What is the molecular weight of 苯烯莫德?
The molecular weight of 苯烯莫德 is 254.13 g/mol.
Where can I buy 苯烯莫德?
You can request a quote for 苯烯莫德 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯烯莫德?
Yes, KEHONG BIO provides custom synthesis services for 苯烯莫德 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.