AB00670974-01
TL;DR: AB00670974-01 (CAS 862976-85-0) is a chemical compound with molecular formula C18H13N3O4S2 and molecular weight 399.03 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-benzothiazole-6-carboxylate
Also Known As: AB00670974-01, F0646-8750, ethyl 2-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-ylamino)benzo[d]thiazole-6-carboxylate, ethyl 2-({4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}amino)-1,3-benzothiazole-6-carboxylate, ethyl 2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C18H13N3O4S2 |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 4.555 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.03476 |
| Heavy Atoms | 27 |
| Complexity | 1143.2498 |
Chemical Identifiers
| CAS Number | 862976-85-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC3=NC4=CC5=C(C=C4S3)OCO5 |
Product Overview
AB00670974-01 (CAS 862976-85-0), with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol. IUPAC: ethyl 2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of AB00670974-01
Property Insights of AB00670974-01
The XLogP value of 4.555 indicates that AB00670974-01 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 AB00670974-01. Following Lipinski's Rule of Five, AB00670974-01 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 AB00670974-01?
The CAS number of AB00670974-01 is 862976-85-0.
What is the molecular formula of AB00670974-01?
The molecular formula of AB00670974-01 is C18H13N3O4S2.
What is the molecular weight of AB00670974-01?
The molecular weight of AB00670974-01 is 399.03 g/mol.
Where can I buy AB00670974-01?
You can request a quote for AB00670974-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670974-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670974-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.