Cyanomethyladriamycin
TL;DR: Cyanomethyladriamycin (CAS 103450-92-6) is a chemical compound with molecular formula C29H30N2O11 and molecular weight 582.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]acetonitrile
Also Known As: Cyanomethyladriamycin, N-(Cyanomethyl)doxorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-((cyanomethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-, 2-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]acetonitrile, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(cyanomethyl)amino]-2,3,6-trideoxyhexopyranoside
| Molecular Formula | C29H30N2O11 |
|---|---|
| Molecular Weight | 582.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 582.18494 |
| Heavy Atoms | 42 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 103450-92-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCC#N)O |
| InChIKey | SDWZXVTWORCAMD-UHFFFAOYSA-N |
Product Overview
Cyanomethyladriamycin (CAS 103450-92-6), with molecular formula C29H30N2O11 and molecular weight 582.18 g/mol. IUPAC: 2-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]acetonitrile.
Chemical Property Profile of Cyanomethyladriamycin
Property Insights of Cyanomethyladriamycin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyladriamycin. The TPSA of 216.0 Ų indicates high polarity, suggesting Cyanomethyladriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanomethyladriamycin 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 Cyanomethyladriamycin?
The CAS number of Cyanomethyladriamycin is 103450-92-6.
What is the molecular formula of Cyanomethyladriamycin?
The molecular formula of Cyanomethyladriamycin is C29H30N2O11.
What is the molecular weight of Cyanomethyladriamycin?
The molecular weight of Cyanomethyladriamycin is 582.18 g/mol.
Where can I buy Cyanomethyladriamycin?
You can request a quote for Cyanomethyladriamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyladriamycin?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyladriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.