S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol
TL;DR: S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol (CAS 83291-75-2) is a chemical compound with molecular formula C60H68N2O20S2 and molecular weight 1200.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[2-[6-[2-[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-oxoethyl]sulfanylhexylsulfanyl]acetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol, 5,12-Naphthacenedione, 8,8'-(1,6-hexanediylbis(thio(1-oxo-2,1-ethanediyl)))bis(10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-(8alpha,8(8'S*,10'S*),10alpha))-, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[2-[6-[2-[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-oxoethyl]sulfanylhexylsulfanyl]acetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C60H68N2O20S2 |
|---|---|
| Molecular Weight | 1200.38 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 422.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 19 |
| Exact Mass | 1200.3807 |
| Heavy Atoms | 84 |
| Complexity | 2250.0 |
Chemical Identifiers
| CAS Number | 83291-75-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CSCCCCCCSCC(=O)C6(CC(C7=C(C6)C(=C8C(=C7O)C(=O)C9=C(C8=O)C=CC=C9OC)O)OC1CC(C(C(O1)C)O)N)O)O)N)O |
| InChIKey | ZNQVCMFUKPTRCH-UHFFFAOYSA-N |
Product Overview
S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol (CAS 83291-75-2), with molecular formula C60H68N2O20S2 and molecular weight 1200.38 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[2-[6-[2-[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-oxoethyl]sulfanylhexylsulfanyl]acetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol
Property Insights of S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol
The XLogP value of 5.3 indicates that S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 422.0 Ų indicates high polarity, suggesting S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol has 10 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 S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol?
The CAS number of S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol is 83291-75-2.
What is the molecular formula of S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol?
The molecular formula of S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol is C60H68N2O20S2.
What is the molecular weight of S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol?
The molecular weight of S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol is 1200.38 g/mol.
Where can I buy S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol?
You can request a quote for S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol?
Yes, KEHONG BIO provides custom synthesis services for S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.