RefChem:454024
TL;DR: RefChem:454024 (CAS 47660-35-5) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-4-[[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl 2-methylprop-2-enoate
Also Known As: 2-[2-METHOXY-4-[[(3-METHYL-3H-BENZOTHIAZOL-2-YLIDENE)HYDRAZONO]METHYL]PHENOXY]ETHYL METHACRYLATE, 2-(2-Methoxy-4-(((3-methyl-3H-benzothiazol-2-ylidene)hydrazono)methyl)phenoxy)ethyl methacrylate, 2-[2-methoxy-4-[(E)-[(E)-(3-methyl-1,3-benzothiazol-2-yliden, 2-[2-methoxy-4-[[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl 2-methylprop-2-enoate, 2-(2-Methoxy-4-{[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}phenoxy)ethyl 2-methylprop-2-enoate
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 47660-35-5 |
|---|---|
| SMILES | CC(=C)C(=O)OCCOC1=C(C=C(C=C1)C=NN=C2N(C3=CC=CC=C3S2)C)OC |
| InChIKey | RNPYQIUMSQHJTO-UHFFFAOYSA-N |
Product Overview
RefChem:454024 (CAS 47660-35-5), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: 2-[2-methoxy-4-[[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl 2-methylprop-2-enoate.
Chemical Property Profile of RefChem:454024
Property Insights of RefChem:454024
The XLogP value of 4.6 indicates that RefChem:454024 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:454024. Following Lipinski's Rule of Five, RefChem:454024 has 0 hydrogen bond donor(s) and 7 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 RefChem:454024?
The CAS number of RefChem:454024 is 47660-35-5.
What is the molecular formula of RefChem:454024?
The molecular formula of RefChem:454024 is C22H23N3O4S.
What is the molecular weight of RefChem:454024?
The molecular weight of RefChem:454024 is 425.14 g/mol.
Where can I buy RefChem:454024?
You can request a quote for RefChem:454024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:454024?
Yes, KEHONG BIO provides custom synthesis services for RefChem:454024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.