Pyrolan
TL;DR: Pyrolan (CAS 87-47-8) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate
Also Known As: PYROLAN, Pyralan, Salirasib, Geigy G-22008, Caswell No. 574A
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| Melting Point | 50.0 °C |
| Boiling Point | 320 to 162.2 °C at 0.2 mmHg |
| Solubility | Soluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 87-47-8 |
|---|---|
| SMILES | CC1=NN(C(=C1)OC(=O)N(C)C)C2=CC=CC=C2 |
| InChIKey | GEDIWDLJKRKBFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrolan (CAS 87-47-8), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate.
Chemical Property Profile of Pyrolan
Property Insights of Pyrolan
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrolan. With a topological polar surface area (TPSA) of 47.4 Ų, Pyrolan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrolan has 0 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 Pyrolan?
The CAS number of Pyrolan is 87-47-8.
What is the molecular formula of Pyrolan?
The molecular formula of Pyrolan is C13H15N3O2.
What is the molecular weight of Pyrolan?
The molecular weight of Pyrolan is 245.12 g/mol.
Where can I buy Pyrolan?
You can request a quote for Pyrolan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrolan?
Yes, KEHONG BIO provides custom synthesis services for Pyrolan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.