AB00105155-01
TL;DR: AB00105155-01 (CAS 311764-99-5) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide
Also Known As: AB00105155-01, A1350/0060965, 2-methyl-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide, 2-methyl-N-(2-((2-morpholino-2-oxoethyl)thio)benzo[d]thiazol-6-yl)benzamide, 2-methyl-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 3.80792 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 1044.5823 |
Chemical Identifiers
| CAS Number | 311764-99-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4 |
Product Overview
AB00105155-01 (CAS 311764-99-5), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: 2-methyl-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide.
Chemical Property Profile of AB00105155-01
Property Insights of AB00105155-01
The XLogP value of 3.80792 indicates that AB00105155-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105155-01. Following Lipinski's Rule of Five, AB00105155-01 has 1 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 AB00105155-01?
The CAS number of AB00105155-01 is 311764-99-5.
What is the molecular formula of AB00105155-01?
The molecular formula of AB00105155-01 is C21H21N3O3S2.
What is the molecular weight of AB00105155-01?
The molecular weight of AB00105155-01 is 427.10 g/mol.
Where can I buy AB00105155-01?
You can request a quote for AB00105155-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105155-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105155-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.