4-Dmdd
TL;DR: 4-Dmdd (CAS 96597-11-4) is a chemical compound with molecular formula C26H27NO10 and molecular weight 513.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-Dmdd, 4-Demethyl-6-deoxydoxorubicin, KST-1A0038, (3s)-3,5,10-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-, A-l-lyxo-hexopyranoside
| Molecular Formula | C26H27NO10 |
|---|---|
| Molecular Weight | 513.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.1635 |
| Heavy Atoms | 37 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 96597-11-4 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C(C4=C(C=C23)C(=O)C5=C(C4=O)C=CC=C5O)O)(C(=O)CO)O)N)O |
| InChIKey | CLPPFSCIEQCSCH-DDHJQGOLSA-N |
Product Overview
4-Dmdd (CAS 96597-11-4), with molecular formula C26H27NO10 and molecular weight 513.16 g/mol. IUPAC: (9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Dmdd
Property Insights of 4-Dmdd
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Dmdd. The TPSA of 197.0 Ų indicates high polarity, suggesting 4-Dmdd may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Dmdd has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Dmdd?
The CAS number of 4-Dmdd is 96597-11-4.
What is the molecular formula of 4-Dmdd?
The molecular formula of 4-Dmdd is C26H27NO10.
What is the molecular weight of 4-Dmdd?
The molecular weight of 4-Dmdd is 513.16 g/mol.
Where can I buy 4-Dmdd?
You can request a quote for 4-Dmdd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dmdd?
Yes, KEHONG BIO provides custom synthesis services for 4-Dmdd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.