NCI60_013157
TL;DR: NCI60_013157 (CAS 80875-73-6) is a chemical compound with molecular formula C31H37NO12 and molecular weight 615.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: NCI60_013157, 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, 3'-Deamino-3'-(4-morpholinyl)-13-dihydro-adriamycin hydrocholoridedihydrate, 3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(morpholin-4-yl)hexopyranoside, 3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside
| Molecular Formula | C31H37NO12 |
|---|---|
| Molecular Weight | 615.23 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 615.23157 |
| Heavy Atoms | 44 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 80875-73-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N6CCOCC6)O |
| InChIKey | LAQMBRIZZQWTGQ-UHFFFAOYSA-N |
Product Overview
NCI60_013157 (CAS 80875-73-6), with molecular formula C31H37NO12 and molecular weight 615.23 g/mol. IUPAC: 9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of NCI60_013157
Property Insights of NCI60_013157
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_013157. The TPSA of 196.0 Ų indicates high polarity, suggesting NCI60_013157 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_013157 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_013157?
The CAS number of NCI60_013157 is 80875-73-6.
What is the molecular formula of NCI60_013157?
The molecular formula of NCI60_013157 is C31H37NO12.
What is the molecular weight of NCI60_013157?
The molecular weight of NCI60_013157 is 615.23 g/mol.
Where can I buy NCI60_013157?
You can request a quote for NCI60_013157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_013157?
Yes, KEHONG BIO provides custom synthesis services for NCI60_013157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.