AB00637276-02
TL;DR: AB00637276-02 (CAS 681225-06-9) is a chemical compound with molecular formula C17H14N4O4S3 and molecular weight 434.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AB00637276-02, F0558-0261, N-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)acetamide, N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)acetamide, 2-[2-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C17H14N4O4S3 |
|---|---|
| Molecular Weight | 434.02 g/mol |
| LogP | 3.3057 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.01773 |
| Heavy Atoms | 28 |
| Complexity | 990.21625 |
Chemical Identifiers
| CAS Number | 681225-06-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CSCC(=O)NC4=NC=CS4 |
Product Overview
AB00637276-02 (CAS 681225-06-9), with molecular formula C17H14N4O4S3 and molecular weight 434.02 g/mol. IUPAC: 2-[2-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00637276-02
Property Insights of AB00637276-02
The XLogP value of 3.3057 indicates that AB00637276-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00637276-02. Following Lipinski's Rule of Five, AB00637276-02 has 2 hydrogen bond donor(s) and 9 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 AB00637276-02?
The CAS number of AB00637276-02 is 681225-06-9.
What is the molecular formula of AB00637276-02?
The molecular formula of AB00637276-02 is C17H14N4O4S3.
What is the molecular weight of AB00637276-02?
The molecular weight of AB00637276-02 is 434.02 g/mol.
Where can I buy AB00637276-02?
You can request a quote for AB00637276-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00637276-02?
Yes, KEHONG BIO provides custom synthesis services for AB00637276-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.