![2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one structure](/static/products/869/869976-17-0.png)
2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one
TL;DR: 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one (CAS 869976-17-0) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,3,3a,9b-tetrahydrochromeno[3,4-c]pyrrol-4-one
Also Known As: 2-benzyl-1,3,3a,9b-tetrahydrochromeno[3,4-c]pyrrol-4-one, 2-BENZYL-2,3,3A,9B-TETRAHYDRO-1H-5-OXA-2-AZA-CYCLOPENTA[A]NAPHTHALEN-4-ONE, 2-Benzyl-1,3,3a,9b-tetrahydrochromeno[3,4-c]pyrrol-4(2H)-one, 2-benzyl-2,3,3a,9b-tetrahydrochromeno[3,4-c]pyrrol-4(1H)-one, cis-2-benzyl-1,2,3,3a-tetrahydrochromeno[3,4-c]pyrrol-4(9bh)-one
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 2.8212 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 667.92834 |
Chemical Identifiers
| CAS Number | 869976-17-0 |
|---|---|
| SMILES | C1C2C(CN1CC3=CC=CC=C3)C(=O)OC4=CC=CC=C24 |
Product Overview
2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one (CAS 869976-17-0), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 2-benzyl-1,3,3a,9b-tetrahydrochromeno[3,4-c]pyrrol-4-one.
Chemical Property Profile of 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one
Property Insights of 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one
The XLogP value of 2.8212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one 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 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one?
The CAS number of 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one is 869976-17-0.
What is the molecular formula of 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one?
The molecular formula of 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one is C18H17NO2.
What is the molecular weight of 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one?
The molecular weight of 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one is 279.13 g/mol.
Where can I buy 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one?
You can request a quote for 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-2,3,3A,9B-tetrahydro-1H-5-oxa-2-aza-cyclopenta[A]naphthalen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.