BAS 00841305
TL;DR: BAS 00841305 (CAS 499099-80-8) is a chemical compound with molecular formula C22H14ClF3N2O3S and molecular weight 478.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: BAS 00841305, BIM-0034051.P001, 2-(4-chlorophenyl)-3-(2-thienyl)-5-[3-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, F1065-0281, AE-641/12110154
| Molecular Formula | C22H14ClF3N2O3S |
|---|---|
| Molecular Weight | 478.04 g/mol |
| LogP | 5.4714 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.0366 |
| Heavy Atoms | 32 |
| Complexity | 1183.8866 |
Chemical Identifiers
| CAS Number | 499099-80-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CS5)C(F)(F)F |
Product Overview
BAS 00841305 (CAS 499099-80-8), with molecular formula C22H14ClF3N2O3S and molecular weight 478.04 g/mol. IUPAC: 2-(4-chlorophenyl)-3-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of BAS 00841305
Property Insights of BAS 00841305
The XLogP value of 5.4714 indicates that BAS 00841305 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, BAS 00841305 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00841305 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00841305?
The CAS number of BAS 00841305 is 499099-80-8.
What is the molecular formula of BAS 00841305?
The molecular formula of BAS 00841305 is C22H14ClF3N2O3S.
What is the molecular weight of BAS 00841305?
The molecular weight of BAS 00841305 is 478.04 g/mol.
Where can I buy BAS 00841305?
You can request a quote for BAS 00841305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00841305?
Yes, KEHONG BIO provides custom synthesis services for BAS 00841305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.