Hydrabamine
TL;DR: Hydrabamine (CAS 6271-05-2) is a chemical compound with molecular formula C42H64N2 and molecular weight 596.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine
Also Known As: hydrabamine, 11068-EP2269610A2, 11068-EP2270002A1, 11068-EP2275102A1, 11068-EP2277848A1
| Molecular Formula | C42H64N2 |
|---|---|
| Molecular Weight | 596.51 g/mol |
| LogP | 11.6 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 596.50696 |
| Heavy Atoms | 44 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 6271-05-2 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CNCCNC[C@@]4(CCC[C@]5([C@H]4CCC6=C5C=CC(=C6)C(C)C)C)C)C |
| InChIKey | XGIHQYAWBCFNPY-AZOCGYLKSA-N |
Product Overview
Hydrabamine (CAS 6271-05-2), with molecular formula C42H64N2 and molecular weight 596.51 g/mol. IUPAC: N,N'-bis[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine.
Chemical Property Profile of Hydrabamine
Property Insights of Hydrabamine
The XLogP value of 11.6 indicates that Hydrabamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, Hydrabamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrabamine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydrabamine?
The CAS number of Hydrabamine is 6271-05-2.
What is the molecular formula of Hydrabamine?
The molecular formula of Hydrabamine is C42H64N2.
What is the molecular weight of Hydrabamine?
The molecular weight of Hydrabamine is 596.51 g/mol.
Where can I buy Hydrabamine?
You can request a quote for Hydrabamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrabamine?
Yes, KEHONG BIO provides custom synthesis services for Hydrabamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.