![3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one structure](/static/products/842/842957-12-4.png)
3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one
TL;DR: 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one (CAS 842957-12-4) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1,3-benzothiazol-2-one
Also Known As: BAS 08977248, 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one, AT-057/42796540, 3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1,3-benzothiazol-2-one, F1641-0061
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 3.9071 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 879.34924 |
Chemical Identifiers
| CAS Number | 842957-12-4 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)CN2C3=CC=CC=C3SC2=O)OC |
Product Overview
3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one (CAS 842957-12-4), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: 3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one
Property Insights of 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one
The XLogP value of 3.9071 indicates that 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one has 0 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 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one?
The CAS number of 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one is 842957-12-4.
What is the molecular formula of 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one?
The molecular formula of 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one is C18H19NO3S.
What is the molecular weight of 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one?
The molecular weight of 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one is 329.11 g/mol.
Where can I buy 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one?
You can request a quote for 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-isopropoxy-3-methoxybenzyl)benzo[d]thiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.