ATPase-IN-5
TL;DR: ATPase-IN-5 (CAS 401590-85-0) is a chemical compound with molecular formula C10H10N4O3S and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Also Known As: ATPase-IN-5, CBKinase1_003236, CBKinase1_015636, WAY-324065-10mMinDMSO,,, BRD-K19186725-001-01-3
| Molecular Formula | C10H10N4O3S |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.04736 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 401590-85-0 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)C2=CC(=C(C=C2)O)O |
| InChIKey | QFKSVHZBXBNSJK-UHFFFAOYSA-N |
Product Overview
ATPase-IN-5 (CAS 401590-85-0), with molecular formula C10H10N4O3S and molecular weight 266.05 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of ATPase-IN-5
Property Insights of ATPase-IN-5
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ATPase-IN-5. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ATPase-IN-5. Following Lipinski's Rule of Five, ATPase-IN-5 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 ATPase-IN-5?
The CAS number of ATPase-IN-5 is 401590-85-0.
What is the molecular formula of ATPase-IN-5?
The molecular formula of ATPase-IN-5 is C10H10N4O3S.
What is the molecular weight of ATPase-IN-5?
The molecular weight of ATPase-IN-5 is 266.05 g/mol.
Where can I buy ATPase-IN-5?
You can request a quote for ATPase-IN-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATPase-IN-5?
Yes, KEHONG BIO provides custom synthesis services for ATPase-IN-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.