Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-
TL;DR: Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- (CAS 58741-68-7) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yloxy-4-(pyrrolidin-1-ylmethyl)xanthen-9-one
Also Known As: 3-Isopropoxy-4-(1-pyrrolidinyl)methylxanthone, Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-, 3-Isopropoxy-4-(1-pyrrolidinyl)methylxanthen-9-one, 3-Isopropoxy-4-(pyrrolidin-1-ylmethyl)-9H-xanthen-9-one, 3-propan-2-yloxy-4-(pyrrolidin-1-ylmethyl)xanthen-9-one
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 4.3292 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 967.9399 |
Chemical Identifiers
| CAS Number | 58741-68-7 |
|---|---|
| SMILES | CC(C)OC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CN4CCCC4 |
Product Overview
Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- (CAS 58741-68-7), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: 3-propan-2-yloxy-4-(pyrrolidin-1-ylmethyl)xanthen-9-one.
Chemical Property Profile of Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-
Property Insights of Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-
The XLogP value of 4.3292 indicates that Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- has 0 hydrogen bond donor(s) and 4 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 Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-?
The CAS number of Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- is 58741-68-7.
What is the molecular formula of Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-?
The molecular formula of Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- is C21H23NO3.
What is the molecular weight of Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-?
The molecular weight of Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- is 337.17 g/mol.
Where can I buy Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-?
You can request a quote for Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl-?
Yes, KEHONG BIO provides custom synthesis services for Xanthen-9-one, 3-isopropoxy-4-(1-pyrrolidinyl)methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.