RefChem:265641
TL;DR: RefChem:265641 (CAS 85128-16-1) is a chemical compound with molecular formula C22H28ClN3O10 and molecular weight 529.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]-3-(propan-2-ylamino)propan-2-ol;oxalic acid
Also Known As: C18H24ClN3O2.2C2H2O4.1/2H2O, 2-Propanol, 1-((4-chloro-6-(1-(1H-imidazol-1-yl)vinyl)-2-methyl)phenoxy)-3-(isopropylamino)-,oxalate, hydrate (2:4:1), C18-H24-Cl-N3-O2.2C2-H2-O4.1/2H2-O, 1-[4-chloro-2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]-3-(propan-2-ylamino)propan-2-ol; oxalic acid, Oxalic acid--1-{4-chloro-2-[1-(1H-imidazol-1-yl)ethen-1-yl]-6-methylphenoxy}-3-[(propan-2-yl)amino]propan-2-ol (2/1)
| Molecular Formula | C22H28ClN3O10 |
|---|---|
| Molecular Weight | 529.15 g/mol |
| LogP | 1.41282 |
| Topological Polar Surface Area | 208.51 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1463 |
| Heavy Atoms | 36 |
| Complexity | 1006.59344 |
Chemical Identifiers
| CAS Number | 85128-16-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC(CNC(C)C)O)C(=C)N2C=CN=C2)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:265641 (CAS 85128-16-1), with molecular formula C22H28ClN3O10 and molecular weight 529.15 g/mol. IUPAC: 1-[4-chloro-2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]-3-(propan-2-ylamino)propan-2-ol;oxalic acid.
Chemical Property Profile of RefChem:265641
Property Insights of RefChem:265641
The XLogP value of 1.41282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:265641. The TPSA of 208.51 Ų indicates high polarity, suggesting RefChem:265641 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:265641 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:265641?
The CAS number of RefChem:265641 is 85128-16-1.
What is the molecular formula of RefChem:265641?
The molecular formula of RefChem:265641 is C22H28ClN3O10.
What is the molecular weight of RefChem:265641?
The molecular weight of RefChem:265641 is 529.15 g/mol.
Where can I buy RefChem:265641?
You can request a quote for RefChem:265641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:265641?
Yes, KEHONG BIO provides custom synthesis services for RefChem:265641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.