NCI60_001357
TL;DR: NCI60_001357 (CAS 1621-85-8) is a chemical compound with molecular formula C16H12O7 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: NCI60_001357, 2-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione, p-Benzoquinone,7-dihydroxy-4-oxo-2-chromanyl)- 5-methoxy-, 2-(5,7-dihydroxy-4-keto-chroman-2-yl)-5-methoxy-p-benzoquinone, 2-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyc
| Molecular Formula | C16H12O7 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0583 |
| Heavy Atoms | 23 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 1621-85-8 |
|---|---|
| SMILES | COC1=CC(=O)C(=CC1=O)C2CC(=O)C3=C(C=C(C=C3O2)O)O |
| InChIKey | LALMIDHSHXJNPR-UHFFFAOYSA-N |
Product Overview
NCI60_001357 (CAS 1621-85-8), with molecular formula C16H12O7 and molecular weight 316.06 g/mol. IUPAC: 2-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of NCI60_001357
Property Insights of NCI60_001357
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_001357. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_001357. Following Lipinski's Rule of Five, NCI60_001357 has 2 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_001357?
The CAS number of NCI60_001357 is 1621-85-8.
What is the molecular formula of NCI60_001357?
The molecular formula of NCI60_001357 is C16H12O7.
What is the molecular weight of NCI60_001357?
The molecular weight of NCI60_001357 is 316.06 g/mol.
Where can I buy NCI60_001357?
You can request a quote for NCI60_001357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_001357?
Yes, KEHONG BIO provides custom synthesis services for NCI60_001357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.