7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine
TL;DR: 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine (CAS 887833-35-4) is a chemical compound with molecular formula C10H11ClN4O and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine
Also Known As: 7-chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine, (7-chloro-5-pyrrolidino-benzofurazan-4-yl)amine, 7-chloro-5-(pyrrolidin-1-yl)benzo[c][1,2,5]oxadiazol-4-amine, 7-chloro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-4-amine, 7-chloro-5-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-4-amine
| Molecular Formula | C10H11ClN4O |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.06213 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 887833-35-4 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C3=NON=C3C(=C2)Cl)N |
| InChIKey | BFOMXSQDGCECRY-UHFFFAOYSA-N |
Product Overview
7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine (CAS 887833-35-4), with molecular formula C10H11ClN4O and molecular weight 238.06 g/mol. IUPAC: 7-chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine.
Chemical Property Profile of 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine
Property Insights of 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine has 1 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 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine?
The CAS number of 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine is 887833-35-4.
What is the molecular formula of 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine?
The molecular formula of 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine is C10H11ClN4O.
What is the molecular weight of 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine?
The molecular weight of 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine is 238.06 g/mol.
Where can I buy 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine?
You can request a quote for 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.