RefChem:305646
TL;DR: RefChem:305646 (CAS 63956-98-9) is a chemical compound with molecular formula C32H37NO13 and molecular weight 643.2265 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[2-hydroxy-3-(9-methoxy-2-methyl-4-oxofuro[3,2-g]chromen-5-yl)oxypropyl]-propan-2-ylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Also Known As: 4-(3-(Benzylisopyropylamino)-2-hydroxypropoxy)-9-methoxy-7-methylfuro(3,2-g)chromone citrate, 5H-Furo(3,2-g)(1)benzopyran-5-one, 4-(3-(benzylisopropylamino)-2-hydroxypropoxy)-9-methoxy-7-methyl-, citrate, Furo(3,2-g)chromone,4-(3-benzylisopropylamino-2-hydroxypropoxy)-9-methoxy-7-methyl-, citrate, 2-(Carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;[2-hydroxy-3-(9-methoxy-2-methyl-4-oxofuro[3,2-g]chromen-5-yl)oxypropyl]-(phenylmethyl)-propan-2-ylazanium, 5H-Furo[3,2-g][1]benzopyran-5-one, 4-[2-hydroxy-3-[(1-methylethyl)(phenylmethyl)amino]propoxy]-9-methoxy-7-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
Technical Specifications
| Molecular Formula | C32H37NO13 |
| Molecular Weight | 643.2265 g/mol |
| XLogP | 0.46 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 643.2265 Da |
| Heavy Atoms | 46 |
| Complexity | 1030.0 |
| SMILES | CC1=CC2=C(O1)C(=C3C(=C(C=CO3)OCC(C[NH+](CC4=CC=CC=C4)C(C)C)O)C2=O)OC.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | DYJUIQICMYDPOM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:305646
Property Insights of RefChem:305646
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305646. The TPSA of 218.0 Ų indicates high polarity, suggesting RefChem:305646 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:305646 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:305646?
The CAS number of RefChem:305646 is 63956-98-9.
What is the molecular formula of RefChem:305646?
The molecular formula of RefChem:305646 is C32H37NO13.
What is the molecular weight of RefChem:305646?
The molecular weight of RefChem:305646 is 643.2265 g/mol.
Where can I buy RefChem:305646?
You can request a quote for RefChem:305646 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305646?
Yes, CoreyChem provides custom synthesis services for RefChem:305646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.