NCI60_000473
TL;DR: NCI60_000473 (CAS 200348-48-7) is a chemical compound with molecular formula C22H18O7 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: NCI60_000473, 7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7-methyl-2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 7-methyl-3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ipa
| Molecular Formula | C22H18O7 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.10526 |
| Heavy Atoms | 29 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 200348-48-7 |
|---|---|
| SMILES | CC1C2C=CC1C(C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5O)O)O)C(=O)O |
| InChIKey | BSAMRWOMXJWVCE-UHFFFAOYSA-N |
Product Overview
NCI60_000473 (CAS 200348-48-7), with molecular formula C22H18O7 and molecular weight 394.11 g/mol. IUPAC: 7-methyl-3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of NCI60_000473
Property Insights of NCI60_000473
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_000473. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_000473. Following Lipinski's Rule of Five, NCI60_000473 has 4 hydrogen bond donor(s) and 7 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 NCI60_000473?
The CAS number of NCI60_000473 is 200348-48-7.
What is the molecular formula of NCI60_000473?
The molecular formula of NCI60_000473 is C22H18O7.
What is the molecular weight of NCI60_000473?
The molecular weight of NCI60_000473 is 394.11 g/mol.
Where can I buy NCI60_000473?
You can request a quote for NCI60_000473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000473?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.