NCI60_003060
TL;DR: NCI60_003060 (CAS 66358-50-7) is a chemical compound with molecular formula C20H17NO6 and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,12R)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-11,19-dione
Also Known As: NCI60_003060, J1.080.205I, cis-5,6,12,13-tetrahydro-2,3-dimethoxy-6-methyl-5,11-dioxo-8, (1S,12R)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-11,19-dione, (6aS)-2,3-Dimethoxy-8,9-(methylenedioxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione
| Molecular Formula | C20H17NO6 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.1056 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 66358-50-7 |
|---|---|
| SMILES | CN1[C@H]2[C@@H](C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5 |
| InChIKey | XMGPGUJCNJAHRG-QZTJIDSGSA-N |
Product Overview
NCI60_003060 (CAS 66358-50-7), with molecular formula C20H17NO6 and molecular weight 367.11 g/mol. IUPAC: (1S,12R)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-11,19-dione.
Chemical Property Profile of NCI60_003060
Property Insights of NCI60_003060
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003060. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003060. Following Lipinski's Rule of Five, NCI60_003060 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_003060?
The CAS number of NCI60_003060 is 66358-50-7.
What is the molecular formula of NCI60_003060?
The molecular formula of NCI60_003060 is C20H17NO6.
What is the molecular weight of NCI60_003060?
The molecular weight of NCI60_003060 is 367.11 g/mol.
Where can I buy NCI60_003060?
You can request a quote for NCI60_003060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003060?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.