BRD-A85592222-001-07-8
TL;DR: BRD-A85592222-001-07-8 (CAS 330181-54-9) is a chemical compound with molecular formula C15H16F3N3O4S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
Also Known As: BRD-A85592222-001-07-8, Ethyl 2-(1,3-benzothiazol-2-ylamino)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate, ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate, Ethyl 2-(2-benzothiazolylamino)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropionate, ethyl N-1,3-benzothiazol-2-yl-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
| Molecular Formula | C15H16F3N3O4S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.08136 |
| Heavy Atoms | 26 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 330181-54-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)OCC |
| InChIKey | BQUIXVDHQALXQA-UHFFFAOYSA-N |
Product Overview
BRD-A85592222-001-07-8 (CAS 330181-54-9), with molecular formula C15H16F3N3O4S and molecular weight 391.08 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylamino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of BRD-A85592222-001-07-8
Property Insights of BRD-A85592222-001-07-8
The XLogP value of 4.7 indicates that BRD-A85592222-001-07-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A85592222-001-07-8. Following Lipinski's Rule of Five, BRD-A85592222-001-07-8 has 2 hydrogen bond donor(s) and 10 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 BRD-A85592222-001-07-8?
The CAS number of BRD-A85592222-001-07-8 is 330181-54-9.
What is the molecular formula of BRD-A85592222-001-07-8?
The molecular formula of BRD-A85592222-001-07-8 is C15H16F3N3O4S.
What is the molecular weight of BRD-A85592222-001-07-8?
The molecular weight of BRD-A85592222-001-07-8 is 391.08 g/mol.
Where can I buy BRD-A85592222-001-07-8?
You can request a quote for BRD-A85592222-001-07-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A85592222-001-07-8?
Yes, KEHONG BIO provides custom synthesis services for BRD-A85592222-001-07-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.