RefChem:1063451
TL;DR: RefChem:1063451 (CAS 37855-77-9) is a chemical compound with molecular formula C31H35NO13 and molecular weight 629.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Also Known As: 5H-Furo(3,2-g)(1)benzopyran-5-one, 9-(3-(benzylisopropylamino)-2-hydroxypropoxy)-4-hydroxy-7-methyl-, citrate, 9-(3-Benzylisopropylamino-2-hydroxypropoxy)-4-hydroxy-7-methylfuro(3,2-g)chromone citrate, Furo(3,2-g)chromone,9-(3-benzylisopropylamino-2-hydroxypropoxy)-4-hydroxy-7-methyl-,citrate, 2-(Carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-(phenylmethyl)-propan-2-ylazanium, 5H-FURO(3,2-g)(1)BENZOPYRAN-5-ONE, 9-(3-(BENZYLISOPROPYLAMINO)-2-HYDROXYPROPOXY)
| Molecular Formula | C31H35NO13 |
|---|---|
| Molecular Weight | 629.21 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 629.2108 |
| Heavy Atoms | 45 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 37855-77-9 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(C(=C2O1)OCC(C[NH+](CC4=CC=CC=C4)C(C)C)O)OC=CC3=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | DATKQKVGXFCKFD-UHFFFAOYSA-N |
Product Overview
RefChem:1063451 (CAS 37855-77-9), with molecular formula C31H35NO13 and molecular weight 629.21 g/mol. IUPAC: benzyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of RefChem:1063451
Property Insights of RefChem:1063451
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063451. The TPSA of 229.0 Ų indicates high polarity, suggesting RefChem:1063451 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063451 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1063451?
The CAS number of RefChem:1063451 is 37855-77-9.
What is the molecular formula of RefChem:1063451?
The molecular formula of RefChem:1063451 is C31H35NO13.
What is the molecular weight of RefChem:1063451?
The molecular weight of RefChem:1063451 is 629.21 g/mol.
Where can I buy RefChem:1063451?
You can request a quote for RefChem:1063451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063451?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.