BAS 00451371
TL;DR: BAS 00451371 (CAS 299198-01-9) is a chemical compound with molecular formula C13H6F3N3S2 and molecular weight 325.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
Also Known As: BAS 00451371, 3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile, AB00079217-01, 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile, A0029/0001330
| Molecular Formula | C13H6F3N3S2 |
|---|---|
| Molecular Weight | 325.00 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.9955 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 299198-01-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C#N)N |
| InChIKey | IIZMCYUXZYKWKG-UHFFFAOYSA-N |
Product Overview
BAS 00451371 (CAS 299198-01-9), with molecular formula C13H6F3N3S2 and molecular weight 325.00 g/mol. IUPAC: 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.
Chemical Property Profile of BAS 00451371
Property Insights of BAS 00451371
The XLogP value of 4.4 indicates that BAS 00451371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00451371. Following Lipinski's Rule of Five, BAS 00451371 has 1 hydrogen bond donor(s) and 8 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 BAS 00451371?
The CAS number of BAS 00451371 is 299198-01-9.
What is the molecular formula of BAS 00451371?
The molecular formula of BAS 00451371 is C13H6F3N3S2.
What is the molecular weight of BAS 00451371?
The molecular weight of BAS 00451371 is 325.00 g/mol.
Where can I buy BAS 00451371?
You can request a quote for BAS 00451371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00451371?
Yes, KEHONG BIO provides custom synthesis services for BAS 00451371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.