alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin
TL;DR: alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin (CAS 89673-78-9) is a chemical compound with molecular formula C32H36N2O12 and molecular weight 640.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-[[3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile
Also Known As: alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin, 10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione, 5,12-Naphthacenedione, 10-((3-((R)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, 3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxyhexopyranoside, 4-[6-[[3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile
| Molecular Formula | C32H36N2O12 |
|---|---|
| Molecular Weight | 640.23 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 640.2268 |
| Heavy Atoms | 46 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 89673-78-9 |
|---|---|
| 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)N6CCOCC6C#N)O |
| InChIKey | YWJAFMZFEVIKBM-UHFFFAOYSA-N |
Product Overview
alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin (CAS 89673-78-9), with molecular formula C32H36N2O12 and molecular weight 640.23 g/mol. IUPAC: 4-[6-[[3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile.
Chemical Property Profile of alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin
Property Insights of alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin. The TPSA of 219.0 Ų indicates high polarity, suggesting alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin?
The CAS number of alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin is 89673-78-9.
What is the molecular formula of alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin?
The molecular formula of alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin is C32H36N2O12.
What is the molecular weight of alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin?
The molecular weight of alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin is 640.23 g/mol.
Where can I buy alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin?
You can request a quote for alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin?
Yes, KEHONG BIO provides custom synthesis services for alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.