1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol
TL;DR: 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol (CAS 1164542-13-5) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol
Also Known As: 1-(2-ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol, 1-{2-[(Z)-Ethylimino]-benzothiazol-3-yl}-3-phenoxy-propan-2-ol, (Z)-1-(2-(ethylimino)benzo[d]thiazol-3(2H)-yl)-3-phenoxypropan-2-ol, 1-(2-ethylimino-1,3-benzothiazol-3-yl)-3-phenoxy-2-propanol, 1-(2-ethylimino-1,3-benzothiazol-3-yl)-3-phenoxy-propan-2-ol
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 3.0633 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 823.6588 |
Chemical Identifiers
| CAS Number | 1164542-13-5 |
|---|---|
| SMILES | CCN=C1N(C2=CC=CC=C2S1)CC(COC3=CC=CC=C3)O |
Product Overview
1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol (CAS 1164542-13-5), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: 1-(2-ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol.
Chemical Property Profile of 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol
Property Insights of 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol
The XLogP value of 3.0633 indicates that 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.75 Ų, 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol has 1 hydrogen bond donor(s) and 4 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-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol?
The CAS number of 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol is 1164542-13-5.
What is the molecular formula of 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol?
The molecular formula of 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol is C18H20N2O2S.
What is the molecular weight of 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol?
The molecular weight of 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol is 328.12 g/mol.
Where can I buy 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol?
You can request a quote for 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.