Avidinorubicin
TL;DR: Avidinorubicin (CAS 135447-13-1) is a chemical compound with molecular formula C60H86N4O22 and molecular weight 1214.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-[4-amino-6-[4-amino-6-[[23-(dimethylamino)-10-[5-(dimethylamino)-4-hydroxy-3-methyloxan-2-yl]oxy-8,12,15,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7,9(14),15-hexaen-24-yl]oxy]-2,4-dimethyloxan-3-yl]oxy-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-oxobutanoic acid
Also Known As: Avidinorubicin, 4-[6-[4-Amino-6-[4-amino-6-[[23-(dimethylamino)-10-[5-(dimethylamino)-4-hydroxy-3-methyloxan-2-yl]oxy-8,12,15,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7,9(14),15-hexaen-24-yl]oxy]-2,4-dimethyloxan-3-yl]oxy-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-oxobutanoic acid, 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione, 5-((O-4-O-(3-carboxy-1-oxopropyl)-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-3-amino-2,3,6-trideoxy-3-C-methyl-beta-L-ribo-hexopyranosyl-(1-4)-3-amino-2,3,6-trideoxy-3-C-methyl-beta-L-ribo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,10,13,15-tetrahydroxy-6,13-dimethyl-11-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-
| Molecular Formula | C60H86N4O22 |
|---|---|
| Molecular Weight | 1214.57 g/mol |
| LogP | 1.9533 |
| Topological Polar Surface Area | 358.94 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 15 |
| Exact Mass | 1214.5734 |
| Heavy Atoms | 86 |
| Complexity | 2939.0237 |
Chemical Identifiers
| CAS Number | 135447-13-1 |
|---|---|
| SMILES | CC1C(C(COC1OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC6=C5OC7C(C(C(C6(O7)C)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1CC(C(C(O1)C)OC(=O)CCC(=O)O)OC)(C)N)(C)N)N(C)C)O)O)(C)O)N(C)C)O |
Product Overview
Avidinorubicin (CAS 135447-13-1), with molecular formula C60H86N4O22 and molecular weight 1214.57 g/mol. IUPAC: 4-[6-[4-amino-6-[4-amino-6-[[23-(dimethylamino)-10-[5-(dimethylamino)-4-hydroxy-3-methyloxan-2-yl]oxy-8,12,15,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7,9(14),15-hexaen-24-yl]oxy]-2,4-dimethyloxan-3-yl]oxy-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-oxobutanoic acid.
Chemical Property Profile of Avidinorubicin
Property Insights of Avidinorubicin
The XLogP value of 1.9533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Avidinorubicin. The TPSA of 358.94 Ų indicates high polarity, suggesting Avidinorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avidinorubicin has 8 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Avidinorubicin?
The CAS number of Avidinorubicin is 135447-13-1.
What is the molecular formula of Avidinorubicin?
The molecular formula of Avidinorubicin is C60H86N4O22.
What is the molecular weight of Avidinorubicin?
The molecular weight of Avidinorubicin is 1214.57 g/mol.
Where can I buy Avidinorubicin?
You can request a quote for Avidinorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avidinorubicin?
Yes, KEHONG BIO provides custom synthesis services for Avidinorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.