Nocardicyclin A
TL;DR: Nocardicyclin A (CAS 199173-81-4) is a chemical compound with molecular formula C30H35NO11 and molecular weight 585.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-2,5,7-trihydroxy-3,10-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Also Known As: Nocardicyclin A, (2R,3R,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-2,5,7-trihydroxy-3,10-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione, 1,6,11(2H)-Naphthacenetrione, 3,4-dihydro-3,10-dimethoxy-2-methyl-4-((2,3,6-trideoxy-3-(dimethylamino-3-C-methyl-alpha-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, (2R,3R,4R)-rel-, (1R,2R,3R)-3,10,12-Trihydroxy-2,7-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-3-methyl-alpha-L-lyxo-hexopyranoside, (2R)-2-Methyl-2alpha,5,7-trihydroxy-3alpha,10-dimethoxy-4alpha-[3-(dimethylamino)-3-methyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy]-3,4-dihydronaphthacene-1,6,11(2H)-trione
| Molecular Formula | C30H35NO11 |
|---|---|
| Molecular Weight | 585.22 g/mol |
| LogP | 1.7179 |
| Topological Polar Surface Area | 172.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 585.221 |
| Heavy Atoms | 42 |
| Complexity | 1498.8032 |
Chemical Identifiers
| CAS Number | 199173-81-4 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]([C@@](C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C=CC(=C5C4=O)OC)O)(C)O)OC)(C)N(C)C)O |
Product Overview
Nocardicyclin A (CAS 199173-81-4), with molecular formula C30H35NO11 and molecular weight 585.22 g/mol. IUPAC: (2R,3R,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-2,5,7-trihydroxy-3,10-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione.
Chemical Property Profile of Nocardicyclin A
Property Insights of Nocardicyclin A
The XLogP value of 1.7179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nocardicyclin A. The TPSA of 172.29 Ų indicates high polarity, suggesting Nocardicyclin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nocardicyclin A has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nocardicyclin A?
The CAS number of Nocardicyclin A is 199173-81-4.
What is the molecular formula of Nocardicyclin A?
The molecular formula of Nocardicyclin A is C30H35NO11.
What is the molecular weight of Nocardicyclin A?
The molecular weight of Nocardicyclin A is 585.22 g/mol.
Where can I buy Nocardicyclin A?
You can request a quote for Nocardicyclin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nocardicyclin A?
Yes, KEHONG BIO provides custom synthesis services for Nocardicyclin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.