4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one
TL;DR: 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one (CAS 83231-83-8) is a chemical compound with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butylamino)-3-(pyrrolidin-1-ylmethyl)chromen-2-one
Also Known As: BAS 01052364, 4-(butylamino)-3-(pyrrolidinylmethyl)chromen-2-one, 4-Butylamino-3-pyrrolidin-1-ylmethyl-chromen-2-one, 4-(butylamino)-3-(pyrrolidin-1-ylmethyl)chromen-2-one, 4-(butylamino)-3-(pyrrolidin-1-ylmethyl)-2H-chromen-2-one
| Molecular Formula | C18H24N2O2 |
|---|---|
| Molecular Weight | 300.18 g/mol |
| LogP | 3.6008 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.18378 |
| Heavy Atoms | 22 |
| Complexity | 687.0369 |
Chemical Identifiers
| CAS Number | 83231-83-8 |
|---|---|
| SMILES | CCCCNC1=C(C(=O)OC2=CC=CC=C21)CN3CCCC3 |
Product Overview
4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one (CAS 83231-83-8), with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol. IUPAC: 4-(butylamino)-3-(pyrrolidin-1-ylmethyl)chromen-2-one.
Chemical Property Profile of 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one
Property Insights of 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one
The XLogP value of 3.6008 indicates that 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.48 Ų, 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one has 1 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 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one?
The CAS number of 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one is 83231-83-8.
What is the molecular formula of 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one?
The molecular formula of 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one is C18H24N2O2.
What is the molecular weight of 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one?
The molecular weight of 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one is 300.18 g/mol.
Where can I buy 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one?
You can request a quote for 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butylamino)-3-(pyrrolidinylmethyl)chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.