AB00684774-01
TL;DR: AB00684774-01 (CAS 862976-72-5) is a chemical compound with molecular formula C14H11N3O4S2 and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylate
Also Known As: AB00684774-01, F0646-8626, ethyl 2-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-ylamino)thiazole-4-carboxylate, ethyl 2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylate, ethyl 2-(1,3-dioxa-5-thia-7-aza-2H-s-indacen-6-ylamino)-1,3-thiazole-4-carboxylate
| Molecular Formula | C14H11N3O4S2 |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 3.4018 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.0191 |
| Heavy Atoms | 23 |
| Complexity | 848.4101 |
Chemical Identifiers
| CAS Number | 862976-72-5 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)NC2=NC3=CC4=C(C=C3S2)OCO4 |
Product Overview
AB00684774-01 (CAS 862976-72-5), with molecular formula C14H11N3O4S2 and molecular weight 349.02 g/mol. IUPAC: ethyl 2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylate.
Chemical Property Profile of AB00684774-01
Property Insights of AB00684774-01
The XLogP value of 3.4018 indicates that AB00684774-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684774-01. Following Lipinski's Rule of Five, AB00684774-01 has 1 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 AB00684774-01?
The CAS number of AB00684774-01 is 862976-72-5.
What is the molecular formula of AB00684774-01?
The molecular formula of AB00684774-01 is C14H11N3O4S2.
What is the molecular weight of AB00684774-01?
The molecular weight of AB00684774-01 is 349.02 g/mol.
Where can I buy AB00684774-01?
You can request a quote for AB00684774-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684774-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684774-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.