LU 3-017
TL;DR: LU 3-017 (CAS 10589-00-1) is a chemical compound with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(dimethylamino)propyl]-3-phenyl-2-benzofuran-1-one;hydrochloride
Also Known As: LU 3-017, Phthalan, 1-(3-dimethylaminopropyl)-3-oxo-1-phenyl-, hydrochloride, 3(1H)-Phthalanone, 1-(3-dimethylaminopropyl)-1-phenyl-, hydrochloride, 3-[3-(dimethylamino)propyl]-3-phenyl-2-benzofuran-1(3h)-onehydrochloride(1:1), 3-[3-(dimethylamino)propyl]-3-phenyl-2-benzofuran-1-one hydrochloride
| Molecular Formula | C19H22ClNO2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1339 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 10589-00-1 |
|---|---|
| SMILES | CN(C)CCCC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3.Cl |
| InChIKey | PLEZOOJZXNJFCF-UHFFFAOYSA-N |
Product Overview
LU 3-017 (CAS 10589-00-1), with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol. IUPAC: 3-[3-(dimethylamino)propyl]-3-phenyl-2-benzofuran-1-one;hydrochloride.
Chemical Property Profile of LU 3-017
Property Insights of LU 3-017
The XLogP value of 3.86 indicates that LU 3-017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, LU 3-017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 3-017 has 1 hydrogen bond donor(s) and 3 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 LU 3-017?
The CAS number of LU 3-017 is 10589-00-1.
What is the molecular formula of LU 3-017?
The molecular formula of LU 3-017 is C19H22ClNO2.
What is the molecular weight of LU 3-017?
The molecular weight of LU 3-017 is 331.13 g/mol.
Where can I buy LU 3-017?
You can request a quote for LU 3-017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 3-017?
Yes, KEHONG BIO provides custom synthesis services for LU 3-017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.