Adriamycin deriv.
TL;DR: Adriamycin deriv. (CAS 70074-23-6) is a chemical compound with molecular formula C58H64N6O22 and molecular weight 1196.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[(E)-[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]butanediamide
Also Known As: Adriamycin deriv., Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene] hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-, Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-, Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.,2(2R*,4R*))), Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide], dihydrochloride, [2S-[2.alpha.,2(2R*,4R*),4.alpha.]]-
| Molecular Formula | C58H64N6O22 |
|---|---|
| Molecular Weight | 1196.41 g/mol |
| LogP | -0.3974 |
| Topological Polar Surface Area | 460.92 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 15 |
| Exact Mass | 1196.4073 |
| Heavy Atoms | 86 |
| Complexity | 3318.6055 |
Chemical Identifiers
| CAS Number | 70074-23-6 |
|---|---|
| SMILES | CC1OC(CC(C1O)N)OC2C3=C(C(=C4C(=O)C5=C(C(=O)C4=C3O)C(=CC=C5)OC)O)CC(C2)(O)/C(=N/NC(=O)CCC(=O)N/N=C(/C6(CC7=C(C(=C8C(=O)C9=C(C(=O)C8=C7O)C=CC=C9OC)O)C(C6)OC1OC(C(C(C1)N)O)C)O)\CO)/CO |
Product Overview
Adriamycin deriv. (CAS 70074-23-6), with molecular formula C58H64N6O22 and molecular weight 1196.41 g/mol. IUPAC: N,N'-bis[(E)-[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]butanediamide.
Chemical Property Profile of Adriamycin deriv.
Property Insights of Adriamycin deriv.
The XLogP value of -0.3974 indicates that Adriamycin deriv. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 460.92 Ų indicates high polarity, suggesting Adriamycin deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin deriv. has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adriamycin deriv.?
The CAS number of Adriamycin deriv. is 70074-23-6.
What is the molecular formula of Adriamycin deriv.?
The molecular formula of Adriamycin deriv. is C58H64N6O22.
What is the molecular weight of Adriamycin deriv.?
The molecular weight of Adriamycin deriv. is 1196.41 g/mol.
Where can I buy Adriamycin deriv.?
You can request a quote for Adriamycin deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adriamycin deriv.?
Yes, KEHONG BIO provides custom synthesis services for Adriamycin deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.