原冰岛衣酸
TL;DR: 原冰岛衣酸 (CAS 489-51-0) is a chemical compound with molecular formula C18H14O9 and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
原冰岛衣酸
10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
Also Known As: Protocetraric acid, Protocetrarsaure, 8-Amino-4-hydroxynaphthalene-2-sulphonic acid, 10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid, 11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-
| Molecular Formula | C18H14O9 |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 2.04254 |
| Topological Polar Surface Area | 150.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.06378 |
| Heavy Atoms | 27 |
| Complexity | 1020.7131 |
Chemical Identifiers
| CAS Number | 489-51-0 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3CO)O)C(=O)O)C)C=O)O |
Product Overview
原冰岛衣酸 (CAS 489-51-0), with molecular formula C18H14O9 and molecular weight 374.06 g/mol. IUPAC: 10-formyl-3,9-dihydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid.
Chemical Property Profile of 原冰岛衣酸
Property Insights of 原冰岛衣酸
The XLogP value of 2.04254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 原冰岛衣酸. The TPSA of 150.59 Ų indicates high polarity, suggesting 原冰岛衣酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 原冰岛衣酸 has 4 hydrogen bond donor(s) and 8 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 原冰岛衣酸?
The CAS number of 原冰岛衣酸 is 489-51-0.
What is the molecular formula of 原冰岛衣酸?
The molecular formula of 原冰岛衣酸 is C18H14O9.
What is the molecular weight of 原冰岛衣酸?
The molecular weight of 原冰岛衣酸 is 374.06 g/mol.
Where can I buy 原冰岛衣酸?
You can request a quote for 原冰岛衣酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 原冰岛衣酸?
Yes, KEHONG BIO provides custom synthesis services for 原冰岛衣酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.