CBKinase1_000939
TL;DR: CBKinase1_000939 (CAS 327102-26-1) is a chemical compound with molecular formula C19H15N5S3 and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: CBKinase1_000939, CBKinase1_013339, BRD-K42882539-001-01-4, 2-((benzo[d]thiazol-2-ylthio)methyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C19H15N5S3 |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 5.1198 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.04895 |
| Heavy Atoms | 27 |
| Complexity | 1266.1658 |
Chemical Identifiers
| CAS Number | 327102-26-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6S5 |
Product Overview
CBKinase1_000939 (CAS 327102-26-1), with molecular formula C19H15N5S3 and molecular weight 409.05 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of CBKinase1_000939
Property Insights of CBKinase1_000939
The XLogP value of 5.1198 indicates that CBKinase1_000939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, CBKinase1_000939 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_000939 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_000939?
The CAS number of CBKinase1_000939 is 327102-26-1.
What is the molecular formula of CBKinase1_000939?
The molecular formula of CBKinase1_000939 is C19H15N5S3.
What is the molecular weight of CBKinase1_000939?
The molecular weight of CBKinase1_000939 is 409.05 g/mol.
Where can I buy CBKinase1_000939?
You can request a quote for CBKinase1_000939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000939?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.