N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine
TL;DR: N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine (CAS 501938-61-0) is a chemical compound with molecular formula C10H13N3OS and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine
Also Known As: NCIOpen2_004040, N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine, N1-(6-methoxybenzo[d]thiazol-4-yl)ethane-1,2-diamine, 1,2-Ethanediamine, N-(6-methoxy-4-benzothiazolyl)- (9CI), N~1~-(6-Methoxy-1,3-benzothiazol-4-yl)-1,2-ethanediamine
| Molecular Formula | C10H13N3OS |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.07793 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 501938-61-0 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)SC=N2)NCCN |
| InChIKey | GMAUOUDBPQWTDE-UHFFFAOYSA-N |
Product Overview
N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine (CAS 501938-61-0), with molecular formula C10H13N3OS and molecular weight 223.08 g/mol. IUPAC: N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine.
Chemical Property Profile of N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine
Property Insights of N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine. Following Lipinski's Rule of Five, N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine has 2 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 N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine?
The CAS number of N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine is 501938-61-0.
What is the molecular formula of N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine?
The molecular formula of N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine is C10H13N3OS.
What is the molecular weight of N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine?
The molecular weight of N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine is 223.08 g/mol.
Where can I buy N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine?
You can request a quote for N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N'-(6-methoxy-1,3-benzothiazol-4-yl)ethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.