NCI60_003486
TL;DR: NCI60_003486 (CAS 85827-97-0) is a chemical compound with molecular formula C18H14O5 and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate
Also Known As: NCI60_003486, Dimethyl 1,4-dihydro-1,4-epoxyanthracene-2,3-dicarboxylate, Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate
| Molecular Formula | C18H14O5 |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.08414 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 85827-97-0 |
|---|---|
| SMILES | COC(=O)C1=C(C2C3=CC4=CC=CC=C4C=C3C1O2)C(=O)OC |
| InChIKey | RRCFMWLKXOAGCC-UHFFFAOYSA-N |
Product Overview
NCI60_003486 (CAS 85827-97-0), with molecular formula C18H14O5 and molecular weight 310.08 g/mol. IUPAC: dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate.
Chemical Property Profile of NCI60_003486
Property Insights of NCI60_003486
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003486. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003486. Following Lipinski's Rule of Five, NCI60_003486 has 0 hydrogen bond donor(s) and 5 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_003486?
The CAS number of NCI60_003486 is 85827-97-0.
What is the molecular formula of NCI60_003486?
The molecular formula of NCI60_003486 is C18H14O5.
What is the molecular weight of NCI60_003486?
The molecular weight of NCI60_003486 is 310.08 g/mol.
Where can I buy NCI60_003486?
You can request a quote for NCI60_003486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003486?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.