![(6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one structure](/static/products/494/494792-96-0.png)
(6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
TL;DR: (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one (CAS 494792-96-0) is a chemical compound with molecular formula C23H19NO4 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3S,13R,14S,16S)-3-benzoyl-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one
Also Known As: (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
| Molecular Formula | C23H19NO4 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 2.7101 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.1314 |
| Heavy Atoms | 28 |
| Complexity | 1000.67175 |
Chemical Identifiers
| CAS Number | 494792-96-0 |
|---|---|
| SMILES | C1[C@H]2[C@H]3[C@@H]([C@H]4C=CC5=CC=CC=C5N4[C@@H]3C(=O)C6=CC=CC=C6)C(=O)[C@@H](O1)O2 |
Product Overview
(6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one (CAS 494792-96-0), with molecular formula C23H19NO4 and molecular weight 373.13 g/mol. IUPAC: (1R,2S,3S,13R,14S,16S)-3-benzoyl-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one.
Chemical Property Profile of (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
Property Insights of (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
The XLogP value of 2.7101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one. With a topological polar surface area (TPSA) of 55.84 Ų, (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one has 0 hydrogen bond donor(s) and 5 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 (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one?
The CAS number of (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one is 494792-96-0.
What is the molecular formula of (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one?
The molecular formula of (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one is C23H19NO4.
What is the molecular weight of (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one?
The molecular weight of (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one is 373.13 g/mol.
Where can I buy (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one?
You can request a quote for (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for (6aR,6bS,8S,11R,11aR,12S)-12-(phenylcarbonyl)-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.