CBKinase1_007383
TL;DR: CBKinase1_007383 (CAS 690646-68-5) is a chemical compound with molecular formula C16H20N4O3S2 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_007383, CBKinase1_019783, VU0618407-1, F3394-1170, AO-476/42502631
| Molecular Formula | C16H20N4O3S2 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 3.0426 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.0977 |
| Heavy Atoms | 25 |
| Complexity | 742.89886 |
Chemical Identifiers
| CAS Number | 690646-68-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC=NN3 |
Product Overview
CBKinase1_007383 (CAS 690646-68-5), with molecular formula C16H20N4O3S2 and molecular weight 380.10 g/mol. IUPAC: ethyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_007383
Property Insights of CBKinase1_007383
The XLogP value of 3.0426 indicates that CBKinase1_007383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007383. Following Lipinski's Rule of Five, CBKinase1_007383 has 2 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 CBKinase1_007383?
The CAS number of CBKinase1_007383 is 690646-68-5.
What is the molecular formula of CBKinase1_007383?
The molecular formula of CBKinase1_007383 is C16H20N4O3S2.
What is the molecular weight of CBKinase1_007383?
The molecular weight of CBKinase1_007383 is 380.10 g/mol.
Where can I buy CBKinase1_007383?
You can request a quote for CBKinase1_007383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007383?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.