BAS 06900687
TL;DR: BAS 06900687 (CAS 445385-93-3) is a chemical compound with molecular formula C17H12FN3O3S and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
Also Known As: BAS 06900687, {4-amino-2-[(4-fluorophenyl)amino]-1,3-thiazol-5-yl}(1,3-benzodioxol-5-yl)methanone, (4-amino-2-((4-fluorophenyl)amino)thiazol-5-yl)(benzo[d][1,3]dioxol-5-yl)methanone, [4-Amino-2-(4-fluoro-phenylamino)-thiazol-5-yl]-benzo[1,3]dioxol-5-yl-methanone, [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
| Molecular Formula | C17H12FN3O3S |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 3.5677 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.05835 |
| Heavy Atoms | 25 |
| Complexity | 956.272 |
Chemical Identifiers
| CAS Number | 445385-93-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(N=C(S3)NC4=CC=C(C=C4)F)N |
Product Overview
BAS 06900687 (CAS 445385-93-3), with molecular formula C17H12FN3O3S and molecular weight 357.06 g/mol. IUPAC: [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone.
Chemical Property Profile of BAS 06900687
Property Insights of BAS 06900687
The XLogP value of 3.5677 indicates that BAS 06900687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900687. Following Lipinski's Rule of Five, BAS 06900687 has 2 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 06900687?
The CAS number of BAS 06900687 is 445385-93-3.
What is the molecular formula of BAS 06900687?
The molecular formula of BAS 06900687 is C17H12FN3O3S.
What is the molecular weight of BAS 06900687?
The molecular weight of BAS 06900687 is 357.06 g/mol.
Where can I buy BAS 06900687?
You can request a quote for BAS 06900687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900687?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.