海拉明二盐酸盐水合物
TL;DR: 海拉明二盐酸盐水合物 (CAS 6272-05-5) is a chemical compound with molecular formula C42H68Cl2N2O and molecular weight 686.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海拉明二盐酸盐水合物
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;hydrate;dihydrochloride
Also Known As: Hydrabamine HCl hydrate, Hydrabamine dihydrochloride hydrate, Ethylenediamine, N,N'-bis(dehydroabietyl)-, dihydrochloride, hydrate, n,n'-di(abieta-8,11,13-trien-18-yl)ethane-1,2-diamine dihydrochloride hydrate, 1,2-Ethanediamine, N,N'-bis((1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)-, dihydrochloride, (1R-(1-alpha(1R*,4aS*,10aR*),4a-beta,10a-alpha))-, hydrate
| Molecular Formula | C42H68Cl2N2O |
|---|---|
| Molecular Weight | 686.47 g/mol |
| LogP | 9.8523 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 686.4709 |
| Heavy Atoms | 47 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 6272-05-5 |
|---|---|
| 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.O.Cl.Cl |
| InChIKey | FREXZFNEYGUKJO-YMVKTORVSA-N |
Product Overview
海拉明二盐酸盐水合物 (CAS 6272-05-5), with molecular formula C42H68Cl2N2O and molecular weight 686.47 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;hydrate;dihydrochloride.
Chemical Property Profile of 海拉明二盐酸盐水合物
Property Insights of 海拉明二盐酸盐水合物
The XLogP value of 9.8523 indicates that 海拉明二盐酸盐水合物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.1 Ų, 海拉明二盐酸盐水合物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 海拉明二盐酸盐水合物 has 5 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 海拉明二盐酸盐水合物?
The CAS number of 海拉明二盐酸盐水合物 is 6272-05-5.
What is the molecular formula of 海拉明二盐酸盐水合物?
The molecular formula of 海拉明二盐酸盐水合物 is C42H68Cl2N2O.
What is the molecular weight of 海拉明二盐酸盐水合物?
The molecular weight of 海拉明二盐酸盐水合物 is 686.47 g/mol.
Where can I buy 海拉明二盐酸盐水合物?
You can request a quote for 海拉明二盐酸盐水合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 海拉明二盐酸盐水合物?
Yes, KEHONG BIO provides custom synthesis services for 海拉明二盐酸盐水合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.