RefChem:221447
TL;DR: RefChem:221447 (CAS 101684-66-6) is a chemical compound with molecular formula C33H46Cl3NO4 and molecular weight 625.24927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-chloroethyl)aminomethyl]-1,5-bis[4-(3-methylbutoxy)phenyl]-4-methylidenepentane-1,5-dione;hydrochloride
Also Known As: 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(4-(3-methylbutoxy)phenyl)-4-methylene-, hydrochloride, 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis[4-(3-methylbutoxy)phenyl]-4-methylidenepentane-1,5-dione hydrochloride, 2-{[Bis(2-chloroethyl)amino]methyl}-1,5-bis[4-(3-methylbutoxy)phenyl]-4-methylidenepentane-1,5-dione--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C33H46Cl3NO4 |
| Molecular Weight | 625.24927 g/mol |
| XLogP | 8.3659 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 625.24927 Da |
| Heavy Atoms | 41 |
| Complexity | 737.0 |
| SMILES | CC(C)CCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCC(C)C)CN(CCCl)CCCl.Cl |
| InChIKey | QMIWJGDDDNOHAD-UHFFFAOYSA-N |
Product Description
Applications: RefChem:221447 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies RefChem:221447 (CAS 101684-66-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
RefChem:221447 (CAS 101684-66-6) is a fine chemical with the molecular formula C33H46Cl3NO4 and a molecular weight of 625.25 g/mol. It is also known as 1,5-Pentanedione, 2-((bis(2-chloroethyl)amino)methyl)-1,5-bis(4-(3-methylbutoxy)phenyl)-4-methylene-, hydrochloride and 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis[4-(3-methylbutoxy)phenyl]-4-methylidenepentane-1,5-dione hydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of RefChem:221447
Property Insights of RefChem:221447
The XLogP value of 8.3659 indicates that RefChem:221447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, RefChem:221447 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:221447 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:221447?
The CAS number of RefChem:221447 is 101684-66-6.
What is the molecular formula of RefChem:221447?
The molecular formula of RefChem:221447 is C33H46Cl3NO4.
What is the molecular weight of RefChem:221447?
The molecular weight of RefChem:221447 is 625.24927 g/mol.
What are the applications of RefChem:221447?
RefChem:221447 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies RefChem:221447 (CAS 101684-66-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy RefChem:221447?
You can request a quote for RefChem:221447 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:221447?
Yes, CoreyChem provides custom synthesis services for RefChem:221447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.