N-(Cyanomethyl)daunorubicin
TL;DR: N-(Cyanomethyl)daunorubicin (CAS 103450-88-0) is a chemical compound with molecular formula C29H30N2O10 and molecular weight 566.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetonitrile
Also Known As: N-(Cyanomethyl)daunorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-((cyanomethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-, 2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetonitrile, 3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(cyanomethyl)amino]-2,3,6-trideoxyhexopyranoside, BRN 6037028
| Molecular Formula | C29H30N2O10 |
|---|---|
| Molecular Weight | 566.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.19006 |
| Heavy Atoms | 41 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 103450-88-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NCC#N)O |
| InChIKey | HXMPULXHXQNBFA-UHFFFAOYSA-N |
Product Overview
N-(Cyanomethyl)daunorubicin (CAS 103450-88-0), with molecular formula C29H30N2O10 and molecular weight 566.19 g/mol. IUPAC: 2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]acetonitrile.
Chemical Property Profile of N-(Cyanomethyl)daunorubicin
Property Insights of N-(Cyanomethyl)daunorubicin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Cyanomethyl)daunorubicin. The TPSA of 196.0 Ų indicates high polarity, suggesting N-(Cyanomethyl)daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Cyanomethyl)daunorubicin has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(Cyanomethyl)daunorubicin?
The CAS number of N-(Cyanomethyl)daunorubicin is 103450-88-0.
What is the molecular formula of N-(Cyanomethyl)daunorubicin?
The molecular formula of N-(Cyanomethyl)daunorubicin is C29H30N2O10.
What is the molecular weight of N-(Cyanomethyl)daunorubicin?
The molecular weight of N-(Cyanomethyl)daunorubicin is 566.19 g/mol.
Where can I buy N-(Cyanomethyl)daunorubicin?
You can request a quote for N-(Cyanomethyl)daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Cyanomethyl)daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N-(Cyanomethyl)daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.