Purpurin 18
TL;DR: Purpurin 18 (CAS 25465-77-4) is a chemical compound with molecular formula C33H32N4O5 and molecular weight 564.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoic acid
Also Known As: Purpurin 18, Purpurin18, Puppurin 18, Purpurin-18; PP-18, J1.028.678F
| Molecular Formula | C33H32N4O5 |
|---|---|
| Molecular Weight | 564.24 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 564.23724 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 25465-77-4 |
|---|---|
| SMILES | CCC1=C(C2=NC1=CC3=C(C4=C(N3)C(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C(=O)OC4=O)C)C |
| InChIKey | KUFHJWJISCAHNP-JXFKEZNVSA-N |
Product Overview
Purpurin 18 (CAS 25465-77-4), with molecular formula C33H32N4O5 and molecular weight 564.24 g/mol. IUPAC: 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoic acid.
Chemical Property Profile of Purpurin 18
Property Insights of Purpurin 18
The XLogP value of 3.7 indicates that Purpurin 18 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Purpurin 18. Following Lipinski's Rule of Five, Purpurin 18 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Purpurin 18?
The CAS number of Purpurin 18 is 25465-77-4.
What is the molecular formula of Purpurin 18?
The molecular formula of Purpurin 18 is C33H32N4O5.
What is the molecular weight of Purpurin 18?
The molecular weight of Purpurin 18 is 564.24 g/mol.
Where can I buy Purpurin 18?
You can request a quote for Purpurin 18 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purpurin 18?
Yes, KEHONG BIO provides custom synthesis services for Purpurin 18 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.