4-DAI-kinamycin C
TL;DR: 4-DAI-kinamycin C (CAS 120901-49-7) is a chemical compound with molecular formula C26H24N2O10 and molecular weight 524.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,4R)-1,2-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate
Also Known As: 4-DAI-kinamycin C, 4-Deacetyl-4-O-isobutyrylkinamycin C, 4-desacetyl-4-O-isobutyrylkinamycin C, [(1S,3S,4R)-1,2-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate, Propanoic acid, 2-methyl-, 1,2-bis(acetyloxy)-5-cyano-2,3,4,5,6,11-hexahydro-3,7-dihydroxy-3-methyl-6,11-dioxo-1H-benzo(b)carbazol-4-yl ester, (1S-(1-alpha,2-beta,3-alpha,4-alpha))-
| Molecular Formula | C26H24N2O10 |
|---|---|
| Molecular Weight | 524.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.14307 |
| Heavy Atoms | 38 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 120901-49-7 |
|---|---|
| SMILES | CC(C)C(=O)O[C@@H]1C2=C([C@@H](C([C@@]1(C)O)OC(=O)C)OC(=O)C)C3=C(N2C#N)C(=O)C4=C(C3=O)C=CC=C4O |
| InChIKey | AXAYEQMDEPTHTO-SJIZWNSKSA-N |
Product Overview
4-DAI-kinamycin C (CAS 120901-49-7), with molecular formula C26H24N2O10 and molecular weight 524.14 g/mol. IUPAC: [(1S,3S,4R)-1,2-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate.
Chemical Property Profile of 4-DAI-kinamycin C
Property Insights of 4-DAI-kinamycin C
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-DAI-kinamycin C. The TPSA of 182.0 Ų indicates high polarity, suggesting 4-DAI-kinamycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-DAI-kinamycin C has 2 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-DAI-kinamycin C?
The CAS number of 4-DAI-kinamycin C is 120901-49-7.
What is the molecular formula of 4-DAI-kinamycin C?
The molecular formula of 4-DAI-kinamycin C is C26H24N2O10.
What is the molecular weight of 4-DAI-kinamycin C?
The molecular weight of 4-DAI-kinamycin C is 524.14 g/mol.
Where can I buy 4-DAI-kinamycin C?
You can request a quote for 4-DAI-kinamycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-DAI-kinamycin C?
Yes, KEHONG BIO provides custom synthesis services for 4-DAI-kinamycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.