NCI60_034998
TL;DR: NCI60_034998 (CAS 28443-84-7) is a chemical compound with molecular formula C27H27NO5 and molecular weight 445.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate
Also Known As: NCI60_034998, dimethyl cyclohexyl-oxo-phenyl-[?]dicarboxylate, 5H-Benzocyclohepten-5,8-imine-6,7-dicarboxylic acid, 10-cyclohexyl-8,9-dihydro-9-oxo-5-phenyl-, dimethyl ester, 6,7-Dimethyl 10-cyclohexyl-8,9-dihydro-9-oxo-5-phenyl-5H-benzocyclohepten-5,8-imine-6,7-dicarboxylate, Dimethyl 10-cyclohexyl-9-oxo-5-phenyl-8,9-dihydro-5H-5,8-epiminobenzo[7]annulene-6,7-dicarboxylate
| Molecular Formula | C27H27NO5 |
|---|---|
| Molecular Weight | 445.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.18893 |
| Heavy Atoms | 33 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 28443-84-7 |
|---|---|
| SMILES | COC(=O)C1=C(C2(C3=CC=CC=C3C(=O)C1N2C4CCCCC4)C5=CC=CC=C5)C(=O)OC |
| InChIKey | VXLDKAIUAGICGO-UHFFFAOYSA-N |
Product Overview
NCI60_034998 (CAS 28443-84-7), with molecular formula C27H27NO5 and molecular weight 445.19 g/mol. IUPAC: dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate.
Chemical Property Profile of NCI60_034998
Property Insights of NCI60_034998
The XLogP value of 4.4 indicates that NCI60_034998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_034998. Following Lipinski's Rule of Five, NCI60_034998 has 0 hydrogen bond donor(s) and 6 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_034998?
The CAS number of NCI60_034998 is 28443-84-7.
What is the molecular formula of NCI60_034998?
The molecular formula of NCI60_034998 is C27H27NO5.
What is the molecular weight of NCI60_034998?
The molecular weight of NCI60_034998 is 445.19 g/mol.
Where can I buy NCI60_034998?
You can request a quote for NCI60_034998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_034998?
Yes, KEHONG BIO provides custom synthesis services for NCI60_034998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.