N-(Carbamoylmethyl)daunorubicin
TL;DR: N-(Carbamoylmethyl)daunorubicin (CAS 103620-82-2) is a chemical compound with molecular formula C29H32N2O11 and molecular weight 584.2006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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]acetamide
Also Known As: N-(Carbamoylmethyl)daunorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-((2-amino-2-oxoethyl)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]acetamide, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2-hydroxy-2-iminoethyl)amino]hexopyranoside, BRN 6049733
Technical Specifications
| Molecular Formula | C29H32N2O11 |
| Molecular Weight | 584.2006 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 215.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 584.2006 Da |
| Heavy Atoms | 42 |
| Complexity | 1090.0 |
| 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(=O)N)O |
| InChIKey | WKCYAQRUHIRHRE-UHFFFAOYSA-N |
Chemical Property Profile of N-(Carbamoylmethyl)daunorubicin
Property Insights of N-(Carbamoylmethyl)daunorubicin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Carbamoylmethyl)daunorubicin. The TPSA of 215.0 Ų indicates high polarity, suggesting N-(Carbamoylmethyl)daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Carbamoylmethyl)daunorubicin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(Carbamoylmethyl)daunorubicin?
The CAS number of N-(Carbamoylmethyl)daunorubicin is 103620-82-2.
What is the molecular formula of N-(Carbamoylmethyl)daunorubicin?
The molecular formula of N-(Carbamoylmethyl)daunorubicin is C29H32N2O11.
What is the molecular weight of N-(Carbamoylmethyl)daunorubicin?
The molecular weight of N-(Carbamoylmethyl)daunorubicin is 584.2006 g/mol.
Where can I buy N-(Carbamoylmethyl)daunorubicin?
You can request a quote for N-(Carbamoylmethyl)daunorubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(Carbamoylmethyl)daunorubicin?
Yes, CoreyChem provides custom synthesis services for N-(Carbamoylmethyl)daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.