12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate
TL;DR: 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate (CAS 3567-08-6) is a chemical compound with molecular formula C29H32N4O10 and molecular weight 596.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 5-azido-2-nitrobenzoate
Also Known As: NABPA, KST-1A0049, 12-O-(5-Azido-2-nitrobenzoylphorbol)-13-acetate, (4ar,7as,7bs,8r,9r)-9a-(acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 5-azido-2-nitrobenzoate, 9a-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 5-azido-2-nitrobenzoate
| Molecular Formula | C29H32N4O10 |
|---|---|
| Molecular Weight | 596.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 596.21185 |
| Heavy Atoms | 43 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 3567-08-6 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2(C(C2(C)C)C3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C5=C(C=CC(=C5)N=[N+]=[N-])[N+](=O)[O-] |
| InChIKey | IYQBSVIEHHARLS-GIEKCMSGSA-N |
Product Overview
12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate (CAS 3567-08-6), with molecular formula C29H32N4O10 and molecular weight 596.21 g/mol. IUPAC: [(1S,2S,6R,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 5-azido-2-nitrobenzoate.
Chemical Property Profile of 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate
Property Insights of 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate. The TPSA of 191.0 Ų indicates high polarity, suggesting 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate has 3 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 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate?
The CAS number of 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate is 3567-08-6.
What is the molecular formula of 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate?
The molecular formula of 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate is C29H32N4O10.
What is the molecular weight of 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate?
The molecular weight of 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate is 596.21 g/mol.
Where can I buy 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate?
You can request a quote for 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate?
Yes, KEHONG BIO provides custom synthesis services for 12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.