去甲二氢愈创木酸
TL;DR: 去甲二氢愈创木酸 (CAS 500-38-9) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去甲二氢愈创木酸
4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Also Known As: NORDIHYDROGUAIARETIC ACID, NDGA, Masoprocol, Actinex, Dihydronorguaiaretic acid
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 500-38-9 |
|---|---|
| SMILES | CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O |
| InChIKey | HCZKYJDFEPMADG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
去甲二氢愈创木酸 (CAS 500-38-9), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol.
Chemical Property Profile of 去甲二氢愈创木酸
Property Insights of 去甲二氢愈创木酸
The XLogP value of 4.3 indicates that 去甲二氢愈创木酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 去甲二氢愈创木酸. Following Lipinski's Rule of Five, 去甲二氢愈创木酸 has 4 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 去甲二氢愈创木酸?
The CAS number of 去甲二氢愈创木酸 is 500-38-9.
What is the molecular formula of 去甲二氢愈创木酸?
The molecular formula of 去甲二氢愈创木酸 is C18H22O4.
What is the molecular weight of 去甲二氢愈创木酸?
The molecular weight of 去甲二氢愈创木酸 is 302.15 g/mol.
Where can I buy 去甲二氢愈创木酸?
You can request a quote for 去甲二氢愈创木酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去甲二氢愈创木酸?
Yes, KEHONG BIO provides custom synthesis services for 去甲二氢愈创木酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.