Pro-4-norphalloin
TL;DR: Pro-4-norphalloin (CAS 40290-20-8) is a chemical compound with molecular formula C34H46N8O8S and molecular weight 726.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
Also Known As: Pro-4-norphalloin, Pro(sup 4)-norphalloin, Norphalloin, 4-L-proline-, cyclic(L-Alanyl-D-threonyl-L-cysteinyl-L-prolyl-L-alanyl-2-mercapto-L- tryptophyl-L-norvalyl) cyclic (3-6)-sulfide, RefChem:1096619
| Molecular Formula | C34H46N8O8S |
|---|---|
| Molecular Weight | 726.32 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 726.3159 |
| Heavy Atoms | 51 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 40290-20-8 |
|---|---|
| SMILES | CCCC1C(=O)NC(C(=O)NC(C(=O)NC2CSC3=C(CC(C(=O)N1)NC(=O)C(NC(=O)C4CCCN4C2=O)C)C5=CC=CC=C5N3)C(C)O)C |
| InChIKey | GEZAJGFOPRFKLC-UHFFFAOYSA-N |
Product Overview
Pro-4-norphalloin (CAS 40290-20-8), with molecular formula C34H46N8O8S and molecular weight 726.32 g/mol. IUPAC: 34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone.
Chemical Property Profile of Pro-4-norphalloin
Property Insights of Pro-4-norphalloin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pro-4-norphalloin. The TPSA of 256.0 Ų indicates high polarity, suggesting Pro-4-norphalloin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pro-4-norphalloin has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pro-4-norphalloin?
The CAS number of Pro-4-norphalloin is 40290-20-8.
What is the molecular formula of Pro-4-norphalloin?
The molecular formula of Pro-4-norphalloin is C34H46N8O8S.
What is the molecular weight of Pro-4-norphalloin?
The molecular weight of Pro-4-norphalloin is 726.32 g/mol.
Where can I buy Pro-4-norphalloin?
You can request a quote for Pro-4-norphalloin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pro-4-norphalloin?
Yes, KEHONG BIO provides custom synthesis services for Pro-4-norphalloin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.