(2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione
TL;DR: (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione (CAS 175136-47-7) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-ethyl-1,4-benzoxazepine-3,5-dione
Also Known As: (2S)-2-ethyl-1,4-benzoxazepine-3,5-dione, 2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione, (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 175136-47-7 |
|---|---|
| SMILES | CC[C@H]1C(=O)NC(=O)C2=CC=CC=C2O1 |
| InChIKey | FOYZYIYDHVWEDP-QMMMGPOBSA-N |
Product Overview
(2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione (CAS 175136-47-7), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: (2S)-2-ethyl-1,4-benzoxazepine-3,5-dione.
Chemical Property Profile of (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione
Property Insights of (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione. With a topological polar surface area (TPSA) of 55.4 Ų, (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione has 1 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 (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione?
The CAS number of (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione is 175136-47-7.
What is the molecular formula of (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione?
The molecular formula of (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione is C11H11NO3.
What is the molecular weight of (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione?
The molecular weight of (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione is 205.07 g/mol.
Where can I buy (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione?
You can request a quote for (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.