Carcinomycin
TL;DR: Carcinomycin (CAS 65454-12-8) is a chemical compound with molecular formula C25H25NO11 and molecular weight 515.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid
Also Known As: Carcinomycin, Carzinomycin, H-5342, (2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid, (2S,4S)-4-[(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid
| Molecular Formula | C25H25NO11 |
|---|---|
| Molecular Weight | 515.14 g/mol |
| LogP | 0.2215 |
| Topological Polar Surface Area | 217.07 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 515.14276 |
| Heavy Atoms | 37 |
| Complexity | 1342.8788 |
Chemical Identifiers
| CAS Number | 65454-12-8 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)O)O)N)O |
Product Overview
Carcinomycin (CAS 65454-12-8), with molecular formula C25H25NO11 and molecular weight 515.14 g/mol. IUPAC: (2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid.
Chemical Property Profile of Carcinomycin
Property Insights of Carcinomycin
The XLogP value of 0.2215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carcinomycin. The TPSA of 217.07 Ų indicates high polarity, suggesting Carcinomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carcinomycin has 7 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 Carcinomycin?
The CAS number of Carcinomycin is 65454-12-8.
What is the molecular formula of Carcinomycin?
The molecular formula of Carcinomycin is C25H25NO11.
What is the molecular weight of Carcinomycin?
The molecular weight of Carcinomycin is 515.14 g/mol.
Where can I buy Carcinomycin?
You can request a quote for Carcinomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carcinomycin?
Yes, KEHONG BIO provides custom synthesis services for Carcinomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.