Agelastatin D
TL;DR: Agelastatin D (CAS 201338-45-6) is a chemical compound with molecular formula C11H11BrN4O3 and molecular weight 326.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
Also Known As: Agelastatin D, Agelastatine D, (-)-Agelastatin D, (1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione, Imidazo(4',5':4,5)cyclopenta(1,2-e)pyrrolo(1,2-a)pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-, (5aS-(5aalpha,5bbeta,8abeta,9aalpha))-
| Molecular Formula | C11H11BrN4O3 |
|---|---|
| Molecular Weight | 326.00 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.00146 |
| Heavy Atoms | 19 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 201338-45-6 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@H]3[C@@]1(NC(=O)N3)O)NC(=O)C4=CC=C(N24)Br |
| InChIKey | AMKORUFKJJIBRU-GIDNPQMSSA-N |
Product Overview
Agelastatin D (CAS 201338-45-6), with molecular formula C11H11BrN4O3 and molecular weight 326.00 g/mol. IUPAC: (1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione.
Chemical Property Profile of Agelastatin D
Property Insights of Agelastatin D
The XLogP value of -0.5 indicates that Agelastatin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelastatin D. Following Lipinski's Rule of Five, Agelastatin D has 4 hydrogen bond donor(s) and 3 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 D?
The CAS number of Agelastatin D is 201338-45-6.
What is the molecular formula of Agelastatin D?
The molecular formula of Agelastatin D is C11H11BrN4O3.
What is the molecular weight of Agelastatin D?
The molecular weight of Agelastatin D is 326.00 g/mol.
Where can I buy Agelastatin D?
You can request a quote for Agelastatin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agelastatin D?
Yes, KEHONG BIO provides custom synthesis services for Agelastatin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.