蒲卡特因
TL;DR: 蒲卡特因 (CAS 81-67-4) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蒲卡特因
(12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
Also Known As: Pukateine, Pukatein, (-)-Pukateine, Pukateine [MI], Pukateine, (-)-
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 81-67-4 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@H]1CC5=C4C(=CC=C5)O)OCO3 |
| InChIKey | IKMXUUHNYQWZBC-GFCCVEGCSA-N |
Product Overview
蒲卡特因 (CAS 81-67-4), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: (12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol.
Chemical Property Profile of 蒲卡特因
Property Insights of 蒲卡特因
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蒲卡特因. With a topological polar surface area (TPSA) of 41.9 Ų, 蒲卡特因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蒲卡特因 has 1 hydrogen bond donor(s) and 4 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 蒲卡特因?
The CAS number of 蒲卡特因 is 81-67-4.
What is the molecular formula of 蒲卡特因?
The molecular formula of 蒲卡特因 is C18H17NO3.
What is the molecular weight of 蒲卡特因?
The molecular weight of 蒲卡特因 is 295.12 g/mol.
Where can I buy 蒲卡特因?
You can request a quote for 蒲卡特因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蒲卡特因?
Yes, KEHONG BIO provides custom synthesis services for 蒲卡特因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.