Alldimycin C
TL;DR: Alldimycin C (CAS 94818-02-7) is a chemical compound with molecular formula C28H33NO10 and molecular weight 543.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Alldimycin C, Alpharubicin I, (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,8,10-pentahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7alpha,8beta,10beta))-, (1R,2R,4S)-2-ethyl-2,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside
| Molecular Formula | C28H33NO10 |
|---|---|
| Molecular Weight | 543.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 543.21045 |
| Heavy Atoms | 39 |
| Complexity | 947.0 |
Chemical Identifiers
| CAS Number | 94818-02-7 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=CC3=C(C(=C2[C@H]1O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)N(C)C)O)C(=O)C5=C(C=CC(=C5C3=O)O)O)O)O |
| InChIKey | KCTUFQSEBNXSCY-QHRGAOIXSA-N |
Product Overview
Alldimycin C (CAS 94818-02-7), with molecular formula C28H33NO10 and molecular weight 543.21 g/mol. IUPAC: (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Alldimycin C
Property Insights of Alldimycin C
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alldimycin C. The TPSA of 177.0 Ų indicates high polarity, suggesting Alldimycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alldimycin C 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 Alldimycin C?
The CAS number of Alldimycin C is 94818-02-7.
What is the molecular formula of Alldimycin C?
The molecular formula of Alldimycin C is C28H33NO10.
What is the molecular weight of Alldimycin C?
The molecular weight of Alldimycin C is 543.21 g/mol.
Where can I buy Alldimycin C?
You can request a quote for Alldimycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alldimycin C?
Yes, KEHONG BIO provides custom synthesis services for Alldimycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.