CBKinase1_012301
TL;DR: CBKinase1_012301 (CAS 838844-16-9) is a chemical compound with molecular formula C18H16N6O2S3 and molecular weight 444.05 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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate
Also Known As: CBKinase1_012301, CBKinase1_024701, BRD-K97951735-001-01-3, ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate, ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate
| Molecular Formula | C18H16N6O2S3 |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 4.45882 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.04968 |
| Heavy Atoms | 29 |
| Complexity | 1126.4275 |
Chemical Identifiers
| CAS Number | 838844-16-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1CSC2=NN=C(S2)C)NC3=NC4=CC=CC=C4S3 |
Product Overview
CBKinase1_012301 (CAS 838844-16-9), with molecular formula C18H16N6O2S3 and molecular weight 444.05 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate.
Chemical Property Profile of CBKinase1_012301
Property Insights of CBKinase1_012301
The XLogP value of 4.45882 indicates that CBKinase1_012301 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 CBKinase1_012301. Following Lipinski's Rule of Five, CBKinase1_012301 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_012301?
The CAS number of CBKinase1_012301 is 838844-16-9.
What is the molecular formula of CBKinase1_012301?
The molecular formula of CBKinase1_012301 is C18H16N6O2S3.
What is the molecular weight of CBKinase1_012301?
The molecular weight of CBKinase1_012301 is 444.05 g/mol.
Where can I buy CBKinase1_012301?
You can request a quote for CBKinase1_012301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012301?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.