ChemDiv3_007190
TL;DR: ChemDiv3_007190 (CAS 835895-52-8) is a chemical compound with molecular formula C19H16N6O2S2 and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(pyrimidin-2-ylsulfanylmethyl)pyrimidine-5-carboxylate
Also Known As: ChemDiv3_007190, IDI1_025100, BRD-K51694772-001-01-7, ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(pyrimidin-2-ylsulfanylmethyl)pyrimidine-5-carboxylate, ethyl 2-(benzo[d]thiazol-2-ylamino)-4-((pyrimidin-2-ylthio)methyl)pyrimidine-5-carboxylate
| Molecular Formula | C19H16N6O2S2 |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 4.0889 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.0776 |
| Heavy Atoms | 29 |
| Complexity | 1102.9745 |
Chemical Identifiers
| CAS Number | 835895-52-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1CSC2=NC=CC=N2)NC3=NC4=CC=CC=C4S3 |
Product Overview
ChemDiv3_007190 (CAS 835895-52-8), with molecular formula C19H16N6O2S2 and molecular weight 424.08 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(pyrimidin-2-ylsulfanylmethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv3_007190
Property Insights of ChemDiv3_007190
The XLogP value of 4.0889 indicates that ChemDiv3_007190 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007190. Following Lipinski's Rule of Five, ChemDiv3_007190 has 1 hydrogen bond donor(s) and 10 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 ChemDiv3_007190?
The CAS number of ChemDiv3_007190 is 835895-52-8.
What is the molecular formula of ChemDiv3_007190?
The molecular formula of ChemDiv3_007190 is C19H16N6O2S2.
What is the molecular weight of ChemDiv3_007190?
The molecular weight of ChemDiv3_007190 is 424.08 g/mol.
Where can I buy ChemDiv3_007190?
You can request a quote for ChemDiv3_007190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007190?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.