Chloropeptide
TL;DR: Chloropeptide (CAS 12663-46-6) is a chemical compound with molecular formula C24H31Cl2N5O7 and molecular weight 571.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Also Known As: Chloropeptide, Islanditoxin, CYCLOCHLOROTINE, Yellowed rice toxin, Chloropeptide, from penicillium islandicum
| Molecular Formula | C24H31Cl2N5O7 |
|---|---|
| Molecular Weight | 571.16 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 571.16003 |
| Heavy Atoms | 38 |
| Complexity | 903.0 |
| Melting Point | 255 °C |
Chemical Identifiers
| CAS Number | 12663-46-6 |
|---|---|
| SMILES | CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO |
| InChIKey | PMBVHCCVEPYDSN-UHFFFAOYSA-N |
Product Overview
Chloropeptide (CAS 12663-46-6), with molecular formula C24H31Cl2N5O7 and molecular weight 571.16 g/mol. IUPAC: 17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone.
Chemical Property Profile of Chloropeptide
Property Insights of Chloropeptide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloropeptide. The TPSA of 177.0 Ų indicates high polarity, suggesting Chloropeptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloropeptide has 6 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 Chloropeptide?
The CAS number of Chloropeptide is 12663-46-6.
What is the molecular formula of Chloropeptide?
The molecular formula of Chloropeptide is C24H31Cl2N5O7.
What is the molecular weight of Chloropeptide?
The molecular weight of Chloropeptide is 571.16 g/mol.
Where can I buy Chloropeptide?
You can request a quote for Chloropeptide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloropeptide?
Yes, KEHONG BIO provides custom synthesis services for Chloropeptide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.