6-Chloro-1,3-benzodioxol-5-amine
TL;DR: 6-Chloro-1,3-benzodioxol-5-amine (CAS 76958-07-1) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,3-benzodioxol-5-amine
Also Known As: 6-chloro-1,3-benzodioxol-5-amine, 6-Chlorobenzo[d][1,3]dioxol-5-amine, 6-Chloro-benzo[1,3]dioxol-5-ylamine, 6-chloro-2H-1,3-benzodioxol-5-amine, 6-chloro-1,3-dioxaindan-5-amine
| Molecular Formula | C7H6ClNO2 |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 1.6509 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.00871 |
| Heavy Atoms | 11 |
| Complexity | 271.7372 |
Chemical Identifiers
| CAS Number | 76958-07-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)N)Cl |
Product Overview
6-Chloro-1,3-benzodioxol-5-amine (CAS 76958-07-1), with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol. IUPAC: 6-chloro-1,3-benzodioxol-5-amine.
Chemical Property Profile of 6-Chloro-1,3-benzodioxol-5-amine
Property Insights of 6-Chloro-1,3-benzodioxol-5-amine
The XLogP value of 1.6509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-1,3-benzodioxol-5-amine. With a topological polar surface area (TPSA) of 44.48 Ų, 6-Chloro-1,3-benzodioxol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-1,3-benzodioxol-5-amine has 1 hydrogen bond donor(s) and 3 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 6-Chloro-1,3-benzodioxol-5-amine?
The CAS number of 6-Chloro-1,3-benzodioxol-5-amine is 76958-07-1.
What is the molecular formula of 6-Chloro-1,3-benzodioxol-5-amine?
The molecular formula of 6-Chloro-1,3-benzodioxol-5-amine is C7H6ClNO2.
What is the molecular weight of 6-Chloro-1,3-benzodioxol-5-amine?
The molecular weight of 6-Chloro-1,3-benzodioxol-5-amine is 171.01 g/mol.
Where can I buy 6-Chloro-1,3-benzodioxol-5-amine?
You can request a quote for 6-Chloro-1,3-benzodioxol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-1,3-benzodioxol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-1,3-benzodioxol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.