AB00685952-01
TL;DR: AB00685952-01 (CAS 1164536-08-6) is a chemical compound with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-methoxy-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: AB00685952-01, (Z)-methyl 2-(6-methoxy-2-((3-methoxybenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, F1366-1469, methyl 2-[6-methoxy-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-6-methoxy-2-[(3-methoxybenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C19H18N2O5S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 2.6341 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.09363 |
| Heavy Atoms | 27 |
| Complexity | 1067.3925 |
Chemical Identifiers
| CAS Number | 1164536-08-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC)S2)CC(=O)OC |
Product Overview
AB00685952-01 (CAS 1164536-08-6), with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol. IUPAC: methyl 2-[6-methoxy-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of AB00685952-01
Property Insights of AB00685952-01
The XLogP value of 2.6341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685952-01. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685952-01. Following Lipinski's Rule of Five, AB00685952-01 has 0 hydrogen bond donor(s) and 6 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 AB00685952-01?
The CAS number of AB00685952-01 is 1164536-08-6.
What is the molecular formula of AB00685952-01?
The molecular formula of AB00685952-01 is C19H18N2O5S.
What is the molecular weight of AB00685952-01?
The molecular weight of AB00685952-01 is 386.09 g/mol.
Where can I buy AB00685952-01?
You can request a quote for AB00685952-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685952-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685952-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.