Nbd-tpa
TL;DR: Nbd-tpa (CAS 137034-69-6) is a chemical compound with molecular formula C43H58N4O12 and molecular weight 822.40515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate
Also Known As: Nbd-tpa, N-(Adamantan-1-yl)-1H-indole-3-carboxamide, Phorbol-13-acetate-12-N-methyl-N-4-(N,N'-di(2-hydroxyethyl)amino)-7-nitrobenz-2-oxa-1,3-diazole-aminododecanoate, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-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 12-(methyl(7-nitro-4-benzofurazanyl)amino)dodecanoate, [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate
Technical Specifications
| Molecular Formula | C43H58N4O12 |
| Molecular Weight | 822.40515 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 224.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 822.40515 Da |
| Heavy Atoms | 59 |
| Complexity | 1700.0 |
| SMILES | C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)CCCCCCCCCCCN(C)C5=CC=C(C6=NON=C56)[N+](=O)[O-] |
| InChIKey | IVPOMGYCQKBCHG-KQZNBZGZSA-N |
Chemical Property Profile of Nbd-tpa
Property Insights of Nbd-tpa
The XLogP value of 6.0 indicates that Nbd-tpa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting Nbd-tpa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nbd-tpa has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nbd-tpa?
The CAS number of Nbd-tpa is 137034-69-6.
What is the molecular formula of Nbd-tpa?
The molecular formula of Nbd-tpa is C43H58N4O12.
What is the molecular weight of Nbd-tpa?
The molecular weight of Nbd-tpa is 822.40515 g/mol.
Where can I buy Nbd-tpa?
You can request a quote for Nbd-tpa directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nbd-tpa?
Yes, CoreyChem provides custom synthesis services for Nbd-tpa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.