Ptilocaulin
TL;DR: Ptilocaulin (CAS 83227-49-0) is a chemical compound with molecular formula C15H25N3 and molecular weight 247.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,10S,12R)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8-dien-6-amine
Also Known As: Ptilocaulin, Isoptilocauline, Ptilocauline, (+)-Ptilocaulin, (+)-Ptilocauline
| Molecular Formula | C15H25N3 |
|---|---|
| Molecular Weight | 247.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.20485 |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 83227-49-0 |
|---|---|
| SMILES | CCCCC1=C2[C@@H]3[C@@H](CC[C@@H]3N=C(N2)N)C[C@@H]1C |
| InChIKey | MGZKFJKGMKJURC-XRRVDJEJSA-N |
Product Overview
Ptilocaulin (CAS 83227-49-0), with molecular formula C15H25N3 and molecular weight 247.20 g/mol. IUPAC: (1S,4S,10S,12R)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8-dien-6-amine.
Chemical Property Profile of Ptilocaulin
Property Insights of Ptilocaulin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ptilocaulin. With a topological polar surface area (TPSA) of 50.4 Ų, Ptilocaulin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ptilocaulin has 2 hydrogen bond donor(s) and 1 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 Ptilocaulin?
The CAS number of Ptilocaulin is 83227-49-0.
What is the molecular formula of Ptilocaulin?
The molecular formula of Ptilocaulin is C15H25N3.
What is the molecular weight of Ptilocaulin?
The molecular weight of Ptilocaulin is 247.20 g/mol.
Where can I buy Ptilocaulin?
You can request a quote for Ptilocaulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ptilocaulin?
Yes, KEHONG BIO provides custom synthesis services for Ptilocaulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.