2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-
TL;DR: 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- (CAS 76167-84-5) is a chemical compound with molecular formula C37H44N8O4 and molecular weight 664.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-[[2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-methylamino]pyrimidin-5-yl]methyl]-N-methylpyrimidin-2-amine
Also Known As: 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-, 5,5'-Methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-2-pyrimidinamine), 5,5'-Methylenebis(N-{1-[(2H-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl}-N-methylpyrimidin-2-amine), N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-[[2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-methylamino]pyrimidin-5-yl]methyl]-N-methylpyrimidin-2-amine, RefChem:266693
| Molecular Formula | C37H44N8O4 |
|---|---|
| Molecular Weight | 664.35 g/mol |
| LogP | 4.5164 |
| Topological Polar Surface Area | 101.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 664.3486 |
| Heavy Atoms | 49 |
| Complexity | 1596.8815 |
Chemical Identifiers
| CAS Number | 76167-84-5 |
|---|---|
| SMILES | CN(C1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=N4)CC5=CN=C(N=C5)N(C)C6CCN(CC6)CC7=CC8=C(C=C7)OCO8 |
Product Overview
2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- (CAS 76167-84-5), with molecular formula C37H44N8O4 and molecular weight 664.35 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-[[2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-methylamino]pyrimidin-5-yl]methyl]-N-methylpyrimidin-2-amine.
Chemical Property Profile of 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-
Property Insights of 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-
The XLogP value of 4.5164 indicates that 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-. Following Lipinski's Rule of Five, 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-?
The CAS number of 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- is 76167-84-5.
What is the molecular formula of 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-?
The molecular formula of 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- is C37H44N8O4.
What is the molecular weight of 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-?
The molecular weight of 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- is 664.35 g/mol.
Where can I buy 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-?
You can request a quote for 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrimidinamine, 5,5'-methylenebis(N-(1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl)-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.