CBKinase1_010809
TL;DR: CBKinase1_010809 (CAS 1005107-90-3) is a chemical compound with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-(2-bicyclo[2.2.1]heptanyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
Also Known As: CBKinase1_010809, CBKinase1_023209, BRD-A68934671-001-01-2, A3630/0153977, methyl 4-(2-((1-(bicyclo[2.2.1]heptan-2-yl)-1H-tetrazol-5-yl)thio)acetamido)benzoate
| Molecular Formula | C18H21N5O3S |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 2.5516 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.1365 |
| Heavy Atoms | 27 |
| Complexity | 837.7776 |
Chemical Identifiers
| CAS Number | 1005107-90-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CC4CCC3C4 |
Product Overview
CBKinase1_010809 (CAS 1005107-90-3), with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol. IUPAC: methyl 4-[[2-[1-(2-bicyclo[2.2.1]heptanyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_010809
Property Insights of CBKinase1_010809
The XLogP value of 2.5516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010809. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010809. Following Lipinski's Rule of Five, CBKinase1_010809 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 CBKinase1_010809?
The CAS number of CBKinase1_010809 is 1005107-90-3.
What is the molecular formula of CBKinase1_010809?
The molecular formula of CBKinase1_010809 is C18H21N5O3S.
What is the molecular weight of CBKinase1_010809?
The molecular weight of CBKinase1_010809 is 387.14 g/mol.
Where can I buy CBKinase1_010809?
You can request a quote for CBKinase1_010809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010809?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.