Ditrisarubicin B
TL;DR: Ditrisarubicin B (CAS 87385-19-1) is a chemical compound with molecular formula C60H80N2O22 and molecular weight 1180.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-7-[4-(dimethylamino)-6-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-2-methyloxan-3-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Ditrisarubicin B, 10-[4-(Dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-7-[4-(dimethylamino)-6-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-2-methyloxan-3-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 7,10-bis(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (7R-(7-alpha,8-beta,10-beta))-, 10-(4-(dimethylamino)-5-((5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo(8.4.0.03,8)tetradecan-12-yl)oxy)-6-methyloxan-2-yl)oxy-7-(4-(dimethylamino)-6-((5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo(8.4.0.03,8)tetradecan-12-yl)oxy)-2-methyloxan-3-yl)oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C60H80N2O22 |
|---|---|
| Molecular Weight | 1180.52 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 285.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 11 |
| Exact Mass | 1180.5203 |
| Heavy Atoms | 84 |
| Complexity | 2410.0 |
Chemical Identifiers
| CAS Number | 87385-19-1 |
|---|---|
| SMILES | CCC1(CC(C2=C(C1OC3CC(C(C(O3)C)OC4CC5C(C(O4)C)OC6C(O5)CC(=O)C(O6)C)N(C)C)C(=C7C(=C2O)C(=O)C8=C(C7=O)C=CC=C8O)O)OC9C(OC(CC9N(C)C)OC1CC2C(C(O1)C)OC1C(O2)CC(=O)C(O1)C)C)O |
| InChIKey | XOWBSQHTLMJEJN-UHFFFAOYSA-N |
Product Overview
Ditrisarubicin B (CAS 87385-19-1), with molecular formula C60H80N2O22 and molecular weight 1180.52 g/mol. IUPAC: 10-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-7-[4-(dimethylamino)-6-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-2-methyloxan-3-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Ditrisarubicin B
Property Insights of Ditrisarubicin B
The XLogP value of 4.2 indicates that Ditrisarubicin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 285.0 Ų indicates high polarity, suggesting Ditrisarubicin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ditrisarubicin B has 4 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ditrisarubicin B?
The CAS number of Ditrisarubicin B is 87385-19-1.
What is the molecular formula of Ditrisarubicin B?
The molecular formula of Ditrisarubicin B is C60H80N2O22.
What is the molecular weight of Ditrisarubicin B?
The molecular weight of Ditrisarubicin B is 1180.52 g/mol.
Where can I buy Ditrisarubicin B?
You can request a quote for Ditrisarubicin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditrisarubicin B?
Yes, KEHONG BIO provides custom synthesis services for Ditrisarubicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.