(-)-Agelastatin C
TL;DR: (-)-Agelastatin C (CAS 201338-44-5) is a chemical compound with molecular formula C12H13BrN4O4 and molecular weight 356.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
Also Known As: Agelastatin C, (-)-Agelastatin C, Agelastatine C, (-)-Agelastatin C, Agelastatin C, (1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
| Molecular Formula | C12H13BrN4O4 |
|---|---|
| Molecular Weight | 356.01 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 356.01202 |
| Heavy Atoms | 21 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 201338-44-5 |
|---|---|
| SMILES | CN1C(=O)N[C@@]2([C@]1(C[C@@H]3[C@H]2NC(=O)C4=CC=C(N34)Br)O)O |
| InChIKey | FTXCKDLRLVUKQU-RMEKTUJTSA-N |
Product Overview
(-)-Agelastatin C (CAS 201338-44-5), with molecular formula C12H13BrN4O4 and molecular weight 356.01 g/mol. IUPAC: (1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione.
Chemical Property Profile of (-)-Agelastatin C
Property Insights of (-)-Agelastatin C
The XLogP value of -1.1 indicates that (-)-Agelastatin C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-Agelastatin C. Following Lipinski's Rule of Five, (-)-Agelastatin C has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (-)-Agelastatin C?
The CAS number of (-)-Agelastatin C is 201338-44-5.
What is the molecular formula of (-)-Agelastatin C?
The molecular formula of (-)-Agelastatin C is C12H13BrN4O4.
What is the molecular weight of (-)-Agelastatin C?
The molecular weight of (-)-Agelastatin C is 356.01 g/mol.
Where can I buy (-)-Agelastatin C?
You can request a quote for (-)-Agelastatin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Agelastatin C?
Yes, KEHONG BIO provides custom synthesis services for (-)-Agelastatin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.