AQ-088/42014175
TL;DR: AQ-088/42014175 (CAS 694517-45-8) is a chemical compound with molecular formula C16H16N4O2S3 and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide
Also Known As: AQ-088/42014175, N-(2-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide, N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide, N-(2-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thio}-1,3-benzothiazol-6-yl)butanamide
| Molecular Formula | C16H16N4O2S3 |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 4.2222 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.04355 |
| Heavy Atoms | 25 |
| Complexity | 876.7773 |
Chemical Identifiers
| CAS Number | 694517-45-8 |
|---|---|
| SMILES | CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=NC=CS3 |
Product Overview
AQ-088/42014175 (CAS 694517-45-8), with molecular formula C16H16N4O2S3 and molecular weight 392.04 g/mol. IUPAC: N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide.
Chemical Property Profile of AQ-088/42014175
Property Insights of AQ-088/42014175
The XLogP value of 4.2222 indicates that AQ-088/42014175 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/42014175. Following Lipinski's Rule of Five, AQ-088/42014175 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 AQ-088/42014175?
The CAS number of AQ-088/42014175 is 694517-45-8.
What is the molecular formula of AQ-088/42014175?
The molecular formula of AQ-088/42014175 is C16H16N4O2S3.
What is the molecular weight of AQ-088/42014175?
The molecular weight of AQ-088/42014175 is 392.04 g/mol.
Where can I buy AQ-088/42014175?
You can request a quote for AQ-088/42014175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/42014175?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/42014175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.