12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate
TL;DR: 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate (CAS 6296-01-1) is a chemical compound with molecular formula C48H66N2O11S and molecular weight 878.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,7S,10S,14R,15R)-13-acetyloxy-8-(acetyloxymethyl)-1,7-dihydroxy-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-20-acetate, KST-1A0226, (1bs,4s,7ar,7br,8r,9r)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-4,7b-dihydroxy-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)naphthalen-1-yl]sulfonyl}amino)dodecanoate, 12-O-(12(N)-Dansylaminododecanoyl)phorbol 12,20-diacetate, Dodecanoic acid, 12-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-, 9a-(acetyloxy)-3-((acetyloxy)methyl)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
| Molecular Formula | C48H66N2O11S |
|---|---|
| Molecular Weight | 878.44 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 878.4387 |
| Heavy Atoms | 62 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 6296-01-1 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)C4[C@@H](C(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)CCCCCCCCCCCNS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C |
| InChIKey | CIBJUFUBRNRNTF-ZGXFIIIUSA-N |
Product Overview
12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate (CAS 6296-01-1), with molecular formula C48H66N2O11S and molecular weight 878.44 g/mol. IUPAC: [(1R,2R,7S,10S,14R,15R)-13-acetyloxy-8-(acetyloxymethyl)-1,7-dihydroxy-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 12,20-diacetate
Property Insights of 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate
The XLogP value of 6.8 indicates that 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.0 Ų indicates high polarity, suggesting 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate has 3 hydrogen bond donor(s) and 13 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 12,20-diacetate?
The CAS number of 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate is 6296-01-1.
What is the molecular formula of 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate?
The molecular formula of 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate is C48H66N2O11S.
What is the molecular weight of 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate?
The molecular weight of 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate is 878.44 g/mol.
Where can I buy 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate?
You can request a quote for 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate 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 12,20-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.