BAS 02239104
TL;DR: BAS 02239104 (CAS 333327-71-2) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-methyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: BAS 02239104, (Z)-ethyl 4-((3-methyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-{[(2Z)-3-methyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino}benzoate, ethyl 4-[[3-methyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate, ETHYL 4-{[(2E)-3-METHYL-4-OXO-6-(PHENYLCARBAMOYL)-1,3-THIAZINAN-2-YLIDENE]AMINO}BENZOATE
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.4534 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 928.7022 |
Chemical Identifiers
| CAS Number | 333327-71-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC=C3)C |
Product Overview
BAS 02239104 (CAS 333327-71-2), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: ethyl 4-[[3-methyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of BAS 02239104
Property Insights of BAS 02239104
The XLogP value of 3.4534 indicates that BAS 02239104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02239104. Following Lipinski's Rule of Five, BAS 02239104 has 1 hydrogen bond donor(s) and 6 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 BAS 02239104?
The CAS number of BAS 02239104 is 333327-71-2.
What is the molecular formula of BAS 02239104?
The molecular formula of BAS 02239104 is C21H21N3O4S.
What is the molecular weight of BAS 02239104?
The molecular weight of BAS 02239104 is 411.13 g/mol.
Where can I buy BAS 02239104?
You can request a quote for BAS 02239104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02239104?
Yes, KEHONG BIO provides custom synthesis services for BAS 02239104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.