BAS 02867109
TL;DR: BAS 02867109 (CAS 1164523-59-4) is a chemical compound with molecular formula C21H20FN3O4S and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: BAS 02867109, A3250/0138073, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-N-ethyl-2-((4-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamide, (2Z)-3-[(2H-13-BENZODIOXOL-5-YL)METHYL]-N-ETHYL-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-13-THIAZINANE-6-CARBOXAMIDE
| Molecular Formula | C21H20FN3O4S |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.11584 |
| Heavy Atoms | 30 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 1164523-59-4 |
|---|---|
| SMILES | CCNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | UPCCYAMXKFGBAO-UHFFFAOYSA-N |
Product Overview
BAS 02867109 (CAS 1164523-59-4), with molecular formula C21H20FN3O4S and molecular weight 429.12 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of BAS 02867109
Property Insights of BAS 02867109
The XLogP value of 3.1 indicates that BAS 02867109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02867109. Following Lipinski's Rule of Five, BAS 02867109 has 1 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 BAS 02867109?
The CAS number of BAS 02867109 is 1164523-59-4.
What is the molecular formula of BAS 02867109?
The molecular formula of BAS 02867109 is C21H20FN3O4S.
What is the molecular weight of BAS 02867109?
The molecular weight of BAS 02867109 is 429.12 g/mol.
Where can I buy BAS 02867109?
You can request a quote for BAS 02867109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02867109?
Yes, KEHONG BIO provides custom synthesis services for BAS 02867109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.