![4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline structure](/static/products/5821/5821-25-0.webp)
4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
TL;DR: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline (CAS 5821-25-0) is a chemical compound with molecular formula C32H41Cl2N3O4 and molecular weight 601.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
Also Known As: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline, 4-{1,3-Bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl}-N,N-bis(2-chloroethyl)aniline
| Molecular Formula | C32H41Cl2N3O4 |
|---|---|
| Molecular Weight | 601.25 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 601.24744 |
| Heavy Atoms | 41 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 5821-25-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2CCCN(C2C3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC(=C(C=C4)OC)OC)OC |
| InChIKey | CWZWLZWZAVOFNY-UHFFFAOYSA-N |
Product Overview
4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline (CAS 5821-25-0), with molecular formula C32H41Cl2N3O4 and molecular weight 601.25 g/mol. IUPAC: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline.
Chemical Property Profile of 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
Property Insights of 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
The XLogP value of 6.2 indicates that 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline has 0 hydrogen bond donor(s) and 7 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[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline?
The CAS number of 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline is 5821-25-0.
What is the molecular formula of 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline?
The molecular formula of 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline is C32H41Cl2N3O4.
What is the molecular weight of 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline?
The molecular weight of 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline is 601.25 g/mol.
Where can I buy 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline?
You can request a quote for 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline 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[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.