2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile
TL;DR: 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile (CAS 673435-90-0) is a chemical compound with molecular formula C19H13N5OS and molecular weight 359.08 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-(4-methoxyphenyl)pyrimidine-5-carbonitrile
Also Known As: 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile, 2-(benzo[d]thiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile
| Molecular Formula | C19H13N5OS |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 4.37718 |
| Topological Polar Surface Area | 83.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.08408 |
| Heavy Atoms | 26 |
| Complexity | 1081.94 |
Chemical Identifiers
| CAS Number | 673435-90-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=NC4=CC=CC=C4S3 |
Product Overview
2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile (CAS 673435-90-0), with molecular formula C19H13N5OS and molecular weight 359.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile
Property Insights of 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile
The XLogP value of 4.37718 indicates that 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 7 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-(4-methoxyphenyl)pyrimidine-5-carbonitrile?
The CAS number of 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile is 673435-90-0.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile is C19H13N5OS.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile is 359.08 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-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-(4-methoxyphenyl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylamino)-4-(4-methoxyphenyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.