BAY 545;BAY545
TL;DR: BAY 545;BAY545 (CAS 1699717-32-2) is a chemical compound with molecular formula C18H22F3N3O4S and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate
Also Known As: BAY 545;BAY545, methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate, methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]propanoate, METHYL 2-[(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)AMINO]-3,3,3-TRIFLUORO-2-(3-METHYLBUTANAMIDO)PROPANOATE
| Molecular Formula | C18H22F3N3O4S |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 3.7008 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.12833 |
| Heavy Atoms | 29 |
| Complexity | 884.84875 |
Chemical Identifiers
| CAS Number | 1699717-32-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)CC(C)C |
Product Overview
BAY 545;BAY545 (CAS 1699717-32-2), with molecular formula C18H22F3N3O4S and molecular weight 433.13 g/mol. IUPAC: methyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate.
Chemical Property Profile of BAY 545;BAY545
Property Insights of BAY 545;BAY545
The XLogP value of 3.7008 indicates that BAY 545;BAY545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAY 545;BAY545. Following Lipinski's Rule of Five, BAY 545;BAY545 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 BAY 545;BAY545?
The CAS number of BAY 545;BAY545 is 1699717-32-2.
What is the molecular formula of BAY 545;BAY545?
The molecular formula of BAY 545;BAY545 is C18H22F3N3O4S.
What is the molecular weight of BAY 545;BAY545?
The molecular weight of BAY 545;BAY545 is 433.13 g/mol.
Where can I buy BAY 545;BAY545?
You can request a quote for BAY 545;BAY545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAY 545;BAY545?
Yes, KEHONG BIO provides custom synthesis services for BAY 545;BAY545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.