F1381-1622
TL;DR: F1381-1622 (CAS 865545-31-9) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-tert-butylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate
Also Known As: F1381-1622, (E)-methyl 2-((4-(tert-butyl)benzoyl)imino)-3-ethyl-2,3-dihydrobenzo[d]thiazole-6-carboxylate, methyl (2E)-2-[(4-tert-butylbenzoyl)imino]-3-ethyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate, methyl 2-(4-tert-butylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.5479 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 1099.4977 |
Chemical Identifiers
| CAS Number | 865545-31-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
F1381-1622 (CAS 865545-31-9), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: methyl 2-(4-tert-butylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of F1381-1622
Property Insights of F1381-1622
The XLogP value of 4.5479 indicates that F1381-1622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F1381-1622. Following Lipinski's Rule of Five, F1381-1622 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 F1381-1622?
The CAS number of F1381-1622 is 865545-31-9.
What is the molecular formula of F1381-1622?
The molecular formula of F1381-1622 is C22H24N2O3S.
What is the molecular weight of F1381-1622?
The molecular weight of F1381-1622 is 396.15 g/mol.
Where can I buy F1381-1622?
You can request a quote for F1381-1622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1381-1622?
Yes, KEHONG BIO provides custom synthesis services for F1381-1622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.