RefChem:331230
TL;DR: RefChem:331230 (CAS 100700-33-2) is a chemical compound with molecular formula C24H36ClNO7 and molecular weight 485.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ium-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride
Also Known As: Butyric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-piperidinoethyl ester, hydrochloride, 2-Piperidin-1-ium-1-ylethyl2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride, BUTYRIC ACID, 2-((9-METHOXY-7-METHYL-5-OXO-3a,4,4a,8a,9,9a-HEXAHYDRO-5H-FURO(3,2, 1-[2-({2-[(9-methoxy-7-methyl-5-oxo-3a,4a,5,8a,9,9a-hexahydro-4h-furo[3,2-g]chromen-4-yl)oxy]butanoyl}oxy)ethyl]piperidinium chloride, 2-piperidin-1-ium-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride
| Molecular Formula | C24H36ClNO7 |
|---|---|
| Molecular Weight | 485.22 g/mol |
| LogP | -2.19 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.21802 |
| Heavy Atoms | 33 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 100700-33-2 |
|---|---|
| SMILES | CCC(C(=O)OCC[NH+]1CCCCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC.[Cl-] |
| InChIKey | PRJRTTRNZWALTL-UHFFFAOYSA-N |
Product Overview
RefChem:331230 (CAS 100700-33-2), with molecular formula C24H36ClNO7 and molecular weight 485.22 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride.
Chemical Property Profile of RefChem:331230
Property Insights of RefChem:331230
The XLogP value of -2.19 indicates that RefChem:331230 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331230. Following Lipinski's Rule of Five, RefChem:331230 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331230?
The CAS number of RefChem:331230 is 100700-33-2.
What is the molecular formula of RefChem:331230?
The molecular formula of RefChem:331230 is C24H36ClNO7.
What is the molecular weight of RefChem:331230?
The molecular weight of RefChem:331230 is 485.22 g/mol.
Where can I buy RefChem:331230?
You can request a quote for RefChem:331230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331230?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.