Bonellin
TL;DR: Bonellin (CAS 62888-19-1) is a chemical compound with molecular formula C31H34N4O4 and molecular weight 526.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(2-carboxyethyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propanoic acid
Also Known As: Bonellin, 3-[18-(2-carboxyethyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propanoic acid, 2,3-Dihydro-3,3,7,12,17-pentamethyl-21H,23H-porphyrin-2,18-dipropionic acid, 3-[20-(2-carboxyethyl)-5,10,15,19,19-pentamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17-decaen-4-yl]propanoic acid
| Molecular Formula | C31H34N4O4 |
|---|---|
| Molecular Weight | 526.26 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.258 |
| Heavy Atoms | 39 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 62888-19-1 |
|---|---|
| SMILES | CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(C(C(=N5)C=C1N2)(C)C)CCC(=O)O)CCC(=O)O)C)C |
| InChIKey | WQVJNMVWRHHIGN-UHFFFAOYSA-N |
Product Overview
Bonellin (CAS 62888-19-1), with molecular formula C31H34N4O4 and molecular weight 526.26 g/mol. IUPAC: 3-[18-(2-carboxyethyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propanoic acid.
Chemical Property Profile of Bonellin
Property Insights of Bonellin
The XLogP value of 4.2 indicates that Bonellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bonellin. Following Lipinski's Rule of Five, Bonellin has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bonellin?
The CAS number of Bonellin is 62888-19-1.
What is the molecular formula of Bonellin?
The molecular formula of Bonellin is C31H34N4O4.
What is the molecular weight of Bonellin?
The molecular weight of Bonellin is 526.26 g/mol.
Where can I buy Bonellin?
You can request a quote for Bonellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bonellin?
Yes, KEHONG BIO provides custom synthesis services for Bonellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.