Chartelline A
TL;DR: Chartelline A (CAS 96845-55-5) is a chemical compound with molecular formula C20H13Br4ClN4O and molecular weight 675.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z,13E)-9,19,20,21-tetrabromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo[13.7.0.01,4.07,11.017,22]docosa-5,7(11),8,13,15,17,19,21-octaen-3-one
Also Known As: Chartelline A, (S)-Chartelline A, (-)-Chartelline A, Methyl 4-pyridyl disulfide, (5Z,13E)-9,19,20,21-tetrabromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo(13.7.0.01,4.07,11.017,22)docosa-5,7(11),8,13,15,17,19,21-octaen-3-one
| Molecular Formula | C20H13Br4ClN4O |
|---|---|
| Molecular Weight | 675.75 g/mol |
| LogP | 7.0582 |
| Topological Polar Surface Area | 61.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 675.75116 |
| Heavy Atoms | 30 |
| Complexity | 1245.9165 |
Chemical Identifiers
| CAS Number | 96845-55-5 |
|---|---|
| SMILES | CC1(/C=C/C2=NC3=CC(=C(C(=C3C24CC(=O)N4/C=C(/C5=C1NC(=N5)Br)\Cl)Br)Br)Br)C |
Product Overview
Chartelline A (CAS 96845-55-5), with molecular formula C20H13Br4ClN4O and molecular weight 675.75 g/mol. IUPAC: (5Z,13E)-9,19,20,21-tetrabromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo[13.7.0.01,4.07,11.017,22]docosa-5,7(11),8,13,15,17,19,21-octaen-3-one.
Chemical Property Profile of Chartelline A
Property Insights of Chartelline A
The XLogP value of 7.0582 indicates that Chartelline A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Chartelline A. Following Lipinski's Rule of Five, Chartelline A has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chartelline A?
The CAS number of Chartelline A is 96845-55-5.
What is the molecular formula of Chartelline A?
The molecular formula of Chartelline A is C20H13Br4ClN4O.
What is the molecular weight of Chartelline A?
The molecular weight of Chartelline A is 675.75 g/mol.
Where can I buy Chartelline A?
You can request a quote for Chartelline A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chartelline A?
Yes, KEHONG BIO provides custom synthesis services for Chartelline A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.