![1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone structure](/static/products/359/359017-81-5.png)
1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone
TL;DR: 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone (CAS 359017-81-5) is a chemical compound with molecular formula C19H22FN3O2S and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[[(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]methyl]piperidin-1-yl]ethanone
Also Known As: 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone, 1-(4-{[(9-Fluoro-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]methyl}piperidin-1-yl)ethan-1-one, 1-[4-[[(9-Fluoro-4,5-dihydro[1]benzoxepino[5,4-d]thiazol-2-yl)amino]methyl]-1-piperidinyl]ethanone
| Molecular Formula | C19H22FN3O2S |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 3.5545 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.14166 |
| Heavy Atoms | 26 |
| Complexity | 815.1107 |
Chemical Identifiers
| CAS Number | 359017-81-5 |
|---|---|
| SMILES | CC(=O)N1CCC(CC1)CNC2=NC3=C(S2)CCOC4=C3C=C(C=C4)F |
Product Overview
1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone (CAS 359017-81-5), with molecular formula C19H22FN3O2S and molecular weight 375.14 g/mol. IUPAC: 1-[4-[[(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]methyl]piperidin-1-yl]ethanone.
Chemical Property Profile of 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone
Property Insights of 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone
The XLogP value of 3.5545 indicates that 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone has 1 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 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone?
The CAS number of 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone is 359017-81-5.
What is the molecular formula of 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone?
The molecular formula of 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone is C19H22FN3O2S.
What is the molecular weight of 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone?
The molecular weight of 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone is 375.14 g/mol.
Where can I buy 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone?
You can request a quote for 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.