Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-
TL;DR: Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- (CAS 43160-00-5) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(pyrrolidin-1-ylmethyl)xanthen-9-one
Also Known As: 3-Amino-4-pyrrolidinylmethylxanthen-9-one, Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-, 3-amino-4-(pyrrolidin-1-ylmethyl)xanthen-9-one, 3-AMINO-4-[(PYRROLIDIN-1-YL)METHYL]-9H-XANTHEN-9-ONE, RefChem:388419
| Molecular Formula | C18H18N2O2 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.13684 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 43160-00-5 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)N |
| InChIKey | AYUBGEAOKHIPPZ-UHFFFAOYSA-N |
Product Overview
Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- (CAS 43160-00-5), with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol. IUPAC: 3-amino-4-(pyrrolidin-1-ylmethyl)xanthen-9-one.
Chemical Property Profile of Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-
Property Insights of Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-. With a topological polar surface area (TPSA) of 55.6 Ų, Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- 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 Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-?
The CAS number of Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- is 43160-00-5.
What is the molecular formula of Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-?
The molecular formula of Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- is C18H18N2O2.
What is the molecular weight of Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-?
The molecular weight of Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- is 294.14 g/mol.
Where can I buy Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl-?
You can request a quote for Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- 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-amino-4-pyrrolidinylmethyl-?
Yes, KEHONG BIO provides custom synthesis services for Xanthen-9-one, 3-amino-4-pyrrolidinylmethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.