AB00685985-01
TL;DR: AB00685985-01 (CAS 897615-85-9) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(dimethylamino)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
Also Known As: AB00685985-01, F1381-1636, (E)-methyl 2-((4-(dimethylamino)benzoyl)imino)-3-ethyl-2,3-dihydrobenzo[d]thiazole-6-carboxylate, methyl (2E)-2-{[4-(dimethylamino)benzoyl]imino}-3-ethyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate, methyl 2-[4-(dimethylamino)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.3164 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 1062.2606 |
Chemical Identifiers
| CAS Number | 897615-85-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)N(C)C |
Product Overview
AB00685985-01 (CAS 897615-85-9), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: methyl 2-[4-(dimethylamino)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of AB00685985-01
Property Insights of AB00685985-01
The XLogP value of 3.3164 indicates that AB00685985-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685985-01. Following Lipinski's Rule of Five, AB00685985-01 has 0 hydrogen bond donor(s) and 5 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 AB00685985-01?
The CAS number of AB00685985-01 is 897615-85-9.
What is the molecular formula of AB00685985-01?
The molecular formula of AB00685985-01 is C20H21N3O3S.
What is the molecular weight of AB00685985-01?
The molecular weight of AB00685985-01 is 383.13 g/mol.
Where can I buy AB00685985-01?
You can request a quote for AB00685985-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685985-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685985-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.