BAS 00481854
TL;DR: BAS 00481854 (CAS 313247-58-4) is a chemical compound with molecular formula C23H18ClF3N4O3S2 and molecular weight 554.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00481854, F0452-5578, ethyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C23H18ClF3N4O3S2 |
|---|---|
| Molecular Weight | 554.05 g/mol |
| LogP | 6.4993 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 554.0461 |
| Heavy Atoms | 36 |
| Complexity | 1478.3107 |
Chemical Identifiers
| CAS Number | 313247-58-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CS5)C(F)(F)F |
Product Overview
BAS 00481854 (CAS 313247-58-4), with molecular formula C23H18ClF3N4O3S2 and molecular weight 554.05 g/mol. IUPAC: ethyl 2-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00481854
Property Insights of BAS 00481854
The XLogP value of 6.4993 indicates that BAS 00481854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00481854. Following Lipinski's Rule of Five, BAS 00481854 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00481854?
The CAS number of BAS 00481854 is 313247-58-4.
What is the molecular formula of BAS 00481854?
The molecular formula of BAS 00481854 is C23H18ClF3N4O3S2.
What is the molecular weight of BAS 00481854?
The molecular weight of BAS 00481854 is 554.05 g/mol.
Where can I buy BAS 00481854?
You can request a quote for BAS 00481854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00481854?
Yes, KEHONG BIO provides custom synthesis services for BAS 00481854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.