1,8-Diaminopyrene
TL;DR: 1,8-Diaminopyrene (CAS 3532-72-7) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrene-1,8-diamine
Also Known As: 1,8-Pyrenediamine, 1,8-Diaminopyrene, pyrene-1,8-diamine, Pyren-1,8-diyldiamin, KST-1B3466
| Molecular Formula | C16H12N2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.10005 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 3532-72-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C(C=C2)N)C=CC4=C(C=CC1=C43)N |
| InChIKey | BLYOXQBERINFDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-Diaminopyrene (CAS 3532-72-7), with molecular formula C16H12N2 and molecular weight 232.10 g/mol. IUPAC: pyrene-1,8-diamine.
Chemical Property Profile of 1,8-Diaminopyrene
Property Insights of 1,8-Diaminopyrene
The XLogP value of 3.6 indicates that 1,8-Diaminopyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 1,8-Diaminopyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Diaminopyrene has 2 hydrogen bond donor(s) and 2 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 1,8-Diaminopyrene?
The CAS number of 1,8-Diaminopyrene is 3532-72-7.
What is the molecular formula of 1,8-Diaminopyrene?
The molecular formula of 1,8-Diaminopyrene is C16H12N2.
What is the molecular weight of 1,8-Diaminopyrene?
The molecular weight of 1,8-Diaminopyrene is 232.10 g/mol.
Where can I buy 1,8-Diaminopyrene?
You can request a quote for 1,8-Diaminopyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Diaminopyrene?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Diaminopyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.