NCI60_002001
TL;DR: NCI60_002001 (CAS 57595-77-4) is a chemical compound with molecular formula C26H30N2O10 and molecular weight 530.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate
Also Known As: NCI60_002001, [3,4,5-triacetyloxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate, 4,3,4,6-TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL)-1H-BENZ[G]INDAZOLE, 7-Methoxy-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-4,5-dihydro-1H-benzo[g]indazole
| Molecular Formula | C26H30N2O10 |
|---|---|
| Molecular Weight | 530.19 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 530.19006 |
| Heavy Atoms | 38 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 57595-77-4 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=C3C=CC(=C4)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | SWJRKNKSOYQLAM-UHFFFAOYSA-N |
Product Overview
NCI60_002001 (CAS 57595-77-4), with molecular formula C26H30N2O10 and molecular weight 530.19 g/mol. IUPAC: [3,4,5-triacetyloxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate.
Chemical Property Profile of NCI60_002001
Property Insights of NCI60_002001
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_002001. The TPSA of 141.0 Ų indicates high polarity, suggesting NCI60_002001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_002001 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_002001?
The CAS number of NCI60_002001 is 57595-77-4.
What is the molecular formula of NCI60_002001?
The molecular formula of NCI60_002001 is C26H30N2O10.
What is the molecular weight of NCI60_002001?
The molecular weight of NCI60_002001 is 530.19 g/mol.
Where can I buy NCI60_002001?
You can request a quote for NCI60_002001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002001?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.