12-O-(12-N-dansylaminododecanoyl)phorbol
TL;DR: 12-O-(12-N-dansylaminododecanoyl)phorbol (CAS 98897-17-7) is a chemical compound with molecular formula C44H62N2O9S and molecular weight 794.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 12-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]dodecanoate
Also Known As: Dansyl-tpa-13-desacetate, 12-O-(12-N-Dansylaminododecanoyl)phorbol, [(1S,2S,6R,10S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 12-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]dodecanoate, (1bS,4aR,7aS,7bS,8R,9R)-4a,7b,9a-Trihydroxy-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 12-[5-(dimethylamino)naphthalene-1-sulfonamido]dodecanoate, 4a,7b,9a-Trihydroxy-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 12-{[5-(dimethylamino)naphthalene-1-sulfonyl]amino}dodecanoate
| Molecular Formula | C44H62N2O9S |
|---|---|
| Molecular Weight | 794.42 g/mol |
| LogP | 5.5797 |
| Topological Polar Surface Area | 173.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 794.4176 |
| Heavy Atoms | 56 |
| Complexity | 1992.0275 |
Chemical Identifiers
| CAS Number | 98897-17-7 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)OC(=O)CCCCCCCCCCCNS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C |
Product Overview
12-O-(12-N-dansylaminododecanoyl)phorbol (CAS 98897-17-7), with molecular formula C44H62N2O9S and molecular weight 794.42 g/mol. IUPAC: [(1S,2S,6R,10S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 12-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]dodecanoate.
Chemical Property Profile of 12-O-(12-N-dansylaminododecanoyl)phorbol
Property Insights of 12-O-(12-N-dansylaminododecanoyl)phorbol
The XLogP value of 5.5797 indicates that 12-O-(12-N-dansylaminododecanoyl)phorbol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.7 Ų indicates high polarity, suggesting 12-O-(12-N-dansylaminododecanoyl)phorbol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-O-(12-N-dansylaminododecanoyl)phorbol has 5 hydrogen bond donor(s) and 10 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-(12-N-dansylaminododecanoyl)phorbol?
The CAS number of 12-O-(12-N-dansylaminododecanoyl)phorbol is 98897-17-7.
What is the molecular formula of 12-O-(12-N-dansylaminododecanoyl)phorbol?
The molecular formula of 12-O-(12-N-dansylaminododecanoyl)phorbol is C44H62N2O9S.
What is the molecular weight of 12-O-(12-N-dansylaminododecanoyl)phorbol?
The molecular weight of 12-O-(12-N-dansylaminododecanoyl)phorbol is 794.42 g/mol.
Where can I buy 12-O-(12-N-dansylaminododecanoyl)phorbol?
You can request a quote for 12-O-(12-N-dansylaminododecanoyl)phorbol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-O-(12-N-dansylaminododecanoyl)phorbol?
Yes, KEHONG BIO provides custom synthesis services for 12-O-(12-N-dansylaminododecanoyl)phorbol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.