![4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y structure](/static/products/811/811-07-4.png)
4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y
TL;DR: 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y (CAS 811-07-4) is a chemical compound with molecular formula C33H45Cl2N5 and molecular weight 581.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
Also Known As: 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y, 4,4'-[(2-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}-1,3-diazinane-1,3-diyl)bis(methylene)]bis(N,N-dimethylaniline), 4-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline, 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline, BENZENAMINE,4-[1,3-BIS[[4-(DIMETHYLAMINO)PHENYL]METHYL]HEXAHYDRO-2-PYRIMIDINYL]-N,N-BIS(2-CHLOROETHYL)-3-METHYL-
| Molecular Formula | C33H45Cl2N5 |
|---|---|
| Molecular Weight | 581.31 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 16.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 581.3052 |
| Heavy Atoms | 40 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 811-07-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC=C(C=C3)N(C)C)CC4=CC=C(C=C4)N(C)C |
| InChIKey | XLBCXZQJEFWFAS-UHFFFAOYSA-N |
Product Overview
4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y (CAS 811-07-4), with molecular formula C33H45Cl2N5 and molecular weight 581.31 g/mol. IUPAC: 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline.
Chemical Property Profile of 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y
Property Insights of 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y
The XLogP value of 7.0 indicates that 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.2 Ų, 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y?
The CAS number of 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y is 811-07-4.
What is the molecular formula of 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y?
The molecular formula of 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y is C33H45Cl2N5.
What is the molecular weight of 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y?
The molecular weight of 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y is 581.31 g/mol.
Where can I buy 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y?
You can request a quote for 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y?
Yes, KEHONG BIO provides custom synthesis services for 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-y and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.