Phyllanthine
TL;DR: Phyllanthine (CAS 23026-52-0) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Also Known As: Phyllanthine, KST-1A2904, Securinan-11-one, 4-methoxy-, (4.beta.)-, (6s,10r,11ar)-10-methoxy-9,10,11,11a-tetrahydro-8h-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6h)-one, (2R,4R,8S)-4-Methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 23026-52-0 |
|---|---|
| SMILES | CO[C@@H]1CCN2[C@H](C1)C34C[C@H]2C=CC3=CC(=O)O4 |
| InChIKey | YKLWRYOORWTCQQ-ZXRVKKJVSA-N |
Product Overview
Phyllanthine (CAS 23026-52-0), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: (2R,4R,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one.
Chemical Property Profile of Phyllanthine
Property Insights of Phyllanthine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phyllanthine. With a topological polar surface area (TPSA) of 38.8 Ų, Phyllanthine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phyllanthine has 0 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 Phyllanthine?
The CAS number of Phyllanthine is 23026-52-0.
What is the molecular formula of Phyllanthine?
The molecular formula of Phyllanthine is C14H17NO3.
What is the molecular weight of Phyllanthine?
The molecular weight of Phyllanthine is 247.12 g/mol.
Where can I buy Phyllanthine?
You can request a quote for Phyllanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phyllanthine?
Yes, KEHONG BIO provides custom synthesis services for Phyllanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.