J2.120.391B
TL;DR: J2.120.391B (CAS 76464-03-4) is a chemical compound with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-prop-2-ynoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: J2.120.391B, 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-3-(2-propynyloxy)phenyl)-4,5,6,7-tetrahydro-, 2-(4-chloro-3-prop-2-ynoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, N-[3-(Propargyloxy)-4-chlorophenyl]cyclohexene-1,2-dicarbimide, 3,4,5,6-Tetrahydro-N-[4-chloro-3-(2-propynyloxy)phenyl]phthalimide
| Molecular Formula | C17H14ClNO3 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.06622 |
| Heavy Atoms | 22 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 76464-03-4 |
|---|---|
| SMILES | C#CCOC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl |
| InChIKey | FNHRETLPLGSTBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J2.120.391B (CAS 76464-03-4), with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol. IUPAC: 2-(4-chloro-3-prop-2-ynoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of J2.120.391B
Property Insights of J2.120.391B
The XLogP value of 3.1 indicates that J2.120.391B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, J2.120.391B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.120.391B has 0 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 J2.120.391B?
The CAS number of J2.120.391B is 76464-03-4.
What is the molecular formula of J2.120.391B?
The molecular formula of J2.120.391B is C17H14ClNO3.
What is the molecular weight of J2.120.391B?
The molecular weight of J2.120.391B is 315.07 g/mol.
Where can I buy J2.120.391B?
You can request a quote for J2.120.391B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.120.391B?
Yes, KEHONG BIO provides custom synthesis services for J2.120.391B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.