Dbdad
TL;DR: Dbdad (CAS 95508-16-0) is a chemical compound with molecular formula C39H68Br2N2O4 and molecular weight 786.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate dibromide
Also Known As: DBDAD, KST-1A9123, 3,17-Dibutyryloxy-2,16-dipiperidinoandrostane dimethobromide, (2, A,3
| Molecular Formula | C39H68Br2N2O4 |
|---|---|
| Molecular Weight | 786.35 g/mol |
| LogP | 1.6789 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 786.35455 |
| Heavy Atoms | 47 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 95508-16-0 |
|---|---|
| SMILES | CCCC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)CCC)[N+]6(CCCCC6)C)C.[Br-].[Br-] |
| InChIKey | STPYLHPYPGPHRI-PFTBPTPCSA-L |
Product Overview
Dbdad (CAS 95508-16-0), with molecular formula C39H68Br2N2O4 and molecular weight 786.35 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate dibromide.
Chemical Property Profile of Dbdad
Property Insights of Dbdad
The XLogP value of 1.6789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dbdad. With a topological polar surface area (TPSA) of 52.6 Ų, Dbdad exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dbdad has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dbdad?
The CAS number of Dbdad is 95508-16-0.
What is the molecular formula of Dbdad?
The molecular formula of Dbdad is C39H68Br2N2O4.
What is the molecular weight of Dbdad?
The molecular weight of Dbdad is 786.35 g/mol.
Where can I buy Dbdad?
You can request a quote for Dbdad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dbdad?
Yes, KEHONG BIO provides custom synthesis services for Dbdad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.