AB00668971-01
TL;DR: AB00668971-01 (CAS 690253-11-3) is a chemical compound with molecular formula C21H16N4O3S2 and molecular weight 436.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-ethoxy-1,3-benzothiazol-2-yl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Also Known As: AB00668971-01, F0598-0405, N-(6-ethoxy-1,3-benzothiazol-2-yl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide, N-(6-ethoxybenzo[d]thiazol-2-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide, N-(6-ethoxy-1,3-benzothiazol-2-yl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.0(3),]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
| Molecular Formula | C21H16N4O3S2 |
|---|---|
| Molecular Weight | 436.07 g/mol |
| LogP | 4.47832 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.06638 |
| Heavy Atoms | 30 |
| Complexity | 1499.2808 |
Chemical Identifiers
| CAS Number | 690253-11-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(S3)N=C5C(=CC=CN5C4=O)C |
Product Overview
AB00668971-01 (CAS 690253-11-3), with molecular formula C21H16N4O3S2 and molecular weight 436.07 g/mol. IUPAC: N-(6-ethoxy-1,3-benzothiazol-2-yl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
Chemical Property Profile of AB00668971-01
Property Insights of AB00668971-01
The XLogP value of 4.47832 indicates that AB00668971-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668971-01. Following Lipinski's Rule of Five, AB00668971-01 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 AB00668971-01?
The CAS number of AB00668971-01 is 690253-11-3.
What is the molecular formula of AB00668971-01?
The molecular formula of AB00668971-01 is C21H16N4O3S2.
What is the molecular weight of AB00668971-01?
The molecular weight of AB00668971-01 is 436.07 g/mol.
Where can I buy AB00668971-01?
You can request a quote for AB00668971-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668971-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668971-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.