3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone
TL;DR: 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone (CAS 126348-55-8) is a chemical compound with molecular formula C22H25NO2 and molecular weight 335.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aR,9bR)-3a-benzyl-1-[(dimethylamino)methyl]-1,4,5,9b-tetrahydrobenzo[e][1]benzofuran-2-one
Also Known As: 3-Bdamtnf, KST-1A1524, 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone, (1s,3ar,9br)-3a-benzyl-1-[(dimethylamino)methyl]-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1h)-one, Naphtho[2,1-b]furan-2(1H)-one,1-[(dimethylamino)methyl]-3a,4,5,9b-tetrahydro-3a-(phenylmethyl)-, (1a,3ab,9bb)- (9CI)
| Molecular Formula | C22H25NO2 |
|---|---|
| Molecular Weight | 335.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.18854 |
| Heavy Atoms | 25 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 126348-55-8 |
|---|---|
| SMILES | CN(C)C[C@@H]1[C@@H]2C3=CC=CC=C3CC[C@@]2(OC1=O)CC4=CC=CC=C4 |
| InChIKey | UOJPFYJGVXXLTP-RZUBCFFCSA-N |
Product Overview
3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone (CAS 126348-55-8), with molecular formula C22H25NO2 and molecular weight 335.19 g/mol. IUPAC: (1S,3aR,9bR)-3a-benzyl-1-[(dimethylamino)methyl]-1,4,5,9b-tetrahydrobenzo[e][1]benzofuran-2-one.
Chemical Property Profile of 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone
Property Insights of 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone
The XLogP value of 3.9 indicates that 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone 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 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone?
The CAS number of 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone is 126348-55-8.
What is the molecular formula of 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone?
The molecular formula of 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone is C22H25NO2.
What is the molecular weight of 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone?
The molecular weight of 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone is 335.19 g/mol.
Where can I buy 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone?
You can request a quote for 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1-(dimethylaminomethyl)-3,4,5,9-tetranaphtho(2-1b)(2-1H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.