CBKinase1_005473
TL;DR: CBKinase1_005473 (CAS 701222-45-9) is a chemical compound with molecular formula C17H22N4O3S and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Also Known As: CBKinase1_005473, CBKinase1_017873, BAS 07242406, BRD-K78131324-001-01-2, methyl 4-({[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
| Molecular Formula | C17H22N4O3S |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 1.7262 |
| Topological Polar Surface Area | 69.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.14127 |
| Heavy Atoms | 25 |
| Complexity | 711.1831 |
Chemical Identifiers
| CAS Number | 701222-45-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CN3CCOCC3 |
Product Overview
CBKinase1_005473 (CAS 701222-45-9), with molecular formula C17H22N4O3S and molecular weight 362.14 g/mol. IUPAC: methyl 4-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of CBKinase1_005473
Property Insights of CBKinase1_005473
The XLogP value of 1.7262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005473. The TPSA of 69.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005473. Following Lipinski's Rule of Five, CBKinase1_005473 has 0 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_005473?
The CAS number of CBKinase1_005473 is 701222-45-9.
What is the molecular formula of CBKinase1_005473?
The molecular formula of CBKinase1_005473 is C17H22N4O3S.
What is the molecular weight of CBKinase1_005473?
The molecular weight of CBKinase1_005473 is 362.14 g/mol.
Where can I buy CBKinase1_005473?
You can request a quote for CBKinase1_005473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005473?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.