BAS 00435104
TL;DR: BAS 00435104 (CAS 314049-27-9) is a chemical compound with molecular formula C20H14ClF3N4O3S and molecular weight 482.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2,5-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00435104, N-(4-chloro-2,5-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C20H14ClF3N4O3S |
|---|---|
| Molecular Weight | 482.04 g/mol |
| LogP | 5.3995 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.04272 |
| Heavy Atoms | 32 |
| Complexity | 1305.9039 |
Chemical Identifiers
| CAS Number | 314049-27-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F)OC)Cl |
Product Overview
BAS 00435104 (CAS 314049-27-9), with molecular formula C20H14ClF3N4O3S and molecular weight 482.04 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00435104
Property Insights of BAS 00435104
The XLogP value of 5.3995 indicates that BAS 00435104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435104. Following Lipinski's Rule of Five, BAS 00435104 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00435104?
The CAS number of BAS 00435104 is 314049-27-9.
What is the molecular formula of BAS 00435104?
The molecular formula of BAS 00435104 is C20H14ClF3N4O3S.
What is the molecular weight of BAS 00435104?
The molecular weight of BAS 00435104 is 482.04 g/mol.
Where can I buy BAS 00435104?
You can request a quote for BAS 00435104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435104?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.