2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile
TL;DR: 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile (CAS 573930-39-9) is a chemical compound with molecular formula C18H11N5S and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile
Also Known As: ChemDiv2_001821, BAS 06911039, 2-(1,3-benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile, 2-(benzo[d]thiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile, 2-(Benzothiazol-2-ylamino)-4-phenyl-pyrimidine-5-carbonitrile
| Molecular Formula | C18H11N5S |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.07352 |
| Heavy Atoms | 24 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 573930-39-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=NC4=CC=CC=C4S3 |
| InChIKey | FNCBFTNYQSNRLI-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile (CAS 573930-39-9), with molecular formula C18H11N5S and molecular weight 329.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile
Property Insights of 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile
The XLogP value of 4.2 indicates that 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 6 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 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile?
The CAS number of 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile is 573930-39-9.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile is C18H11N5S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile is 329.07 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylamino)-4-phenylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.