AB00684655-01
TL;DR: AB00684655-01 (CAS 862826-55-9) is a chemical compound with molecular formula C17H18N4O3S3 and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AB00684655-01, F0620-1808, N-[(2Z)-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)acetamide, (Z)-N-(3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)acetamide, 2-[2-[[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C17H18N4O3S3 |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 2.6049 |
| Topological Polar Surface Area | 85.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.0541 |
| Heavy Atoms | 27 |
| Complexity | 978.8933 |
Chemical Identifiers
| CAS Number | 862826-55-9 |
|---|---|
| SMILES | COCCN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)NC3=NC=CS3 |
Product Overview
AB00684655-01 (CAS 862826-55-9), with molecular formula C17H18N4O3S3 and molecular weight 422.05 g/mol. IUPAC: 2-[2-[[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00684655-01
Property Insights of AB00684655-01
The XLogP value of 2.6049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684655-01. The TPSA of 85.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684655-01. Following Lipinski's Rule of Five, AB00684655-01 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 AB00684655-01?
The CAS number of AB00684655-01 is 862826-55-9.
What is the molecular formula of AB00684655-01?
The molecular formula of AB00684655-01 is C17H18N4O3S3.
What is the molecular weight of AB00684655-01?
The molecular weight of AB00684655-01 is 422.05 g/mol.
Where can I buy AB00684655-01?
You can request a quote for AB00684655-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684655-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684655-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.