BAS 00406086
TL;DR: BAS 00406086 (CAS 331431-73-3) is a chemical compound with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide
Also Known As: BAS 00406086, AB00088878-01, 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide, 3-(5,6-dimethyl-1,3-dihydro-2H-isoindol-2-yl)-N'-(2-furylmethylene)benzohydrazide
| Molecular Formula | C22H21N3O2 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 4.18054 |
| Topological Polar Surface Area | 57.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.1634 |
| Heavy Atoms | 27 |
| Complexity | 975.4023 |
Chemical Identifiers
| CAS Number | 331431-73-3 |
|---|---|
| SMILES | CC1=CC2=C(CN(C2)C3=CC=CC(=C3)C(=O)N/N=C/C4=CC=CO4)C=C1C |
Product Overview
BAS 00406086 (CAS 331431-73-3), with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol. IUPAC: 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide.
Chemical Property Profile of BAS 00406086
Property Insights of BAS 00406086
The XLogP value of 4.18054 indicates that BAS 00406086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.84 Ų, BAS 00406086 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00406086 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 BAS 00406086?
The CAS number of BAS 00406086 is 331431-73-3.
What is the molecular formula of BAS 00406086?
The molecular formula of BAS 00406086 is C22H21N3O2.
What is the molecular weight of BAS 00406086?
The molecular weight of BAS 00406086 is 359.16 g/mol.
Where can I buy BAS 00406086?
You can request a quote for BAS 00406086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00406086?
Yes, KEHONG BIO provides custom synthesis services for BAS 00406086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.