RefChem:221450
TL;DR: RefChem:221450 (CAS 101684-60-0) is a chemical compound with molecular formula C25H30Cl3NO4 and molecular weight 513.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylidenepentane-1,5-dione;hydrochloride
Also Known As: 2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-methoxyphenyl)-4-methylene-1,5-pentanedione HCl, 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(p-methoxyphenyl)-4-methylene-, hydrochloride, 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylidenepentane-1,5-dione hydrochloride, 2-{[Bis(2-chloroethyl)amino]methyl}-1,5-bis(4-methoxyphenyl)-4-methylidenepentane-1,5-dione--hydrogen chloride (1/1), RefChem:221450
| Molecular Formula | C25H30Cl3NO4 |
|---|---|
| Molecular Weight | 513.12 g/mol |
| LogP | 5.5333 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 513.124 |
| Heavy Atoms | 33 |
| Complexity | 894.873 |
Chemical Identifiers
| CAS Number | 101684-60-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OC)CN(CCCl)CCCl.Cl |
Product Overview
RefChem:221450 (CAS 101684-60-0), with molecular formula C25H30Cl3NO4 and molecular weight 513.12 g/mol. IUPAC: 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-methoxyphenyl)-4-methylidenepentane-1,5-dione;hydrochloride.
Chemical Property Profile of RefChem:221450
Property Insights of RefChem:221450
The XLogP value of 5.5333 indicates that RefChem:221450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, RefChem:221450 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:221450 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 RefChem:221450?
The CAS number of RefChem:221450 is 101684-60-0.
What is the molecular formula of RefChem:221450?
The molecular formula of RefChem:221450 is C25H30Cl3NO4.
What is the molecular weight of RefChem:221450?
The molecular weight of RefChem:221450 is 513.12 g/mol.
Where can I buy RefChem:221450?
You can request a quote for RefChem:221450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221450?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.