Beauveriolide III
TL;DR: Beauveriolide III (CAS 221111-70-2) is a chemical compound with molecular formula C27H41N3O5 and molecular weight 487.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,6S,9S,13S)-9-benzyl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Also Known As: Beauveriolide III, Beauveriolide III;, (3R,6S,9S,13S)-9-benzyl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone, cyclo[L-alanyl-D-alloisoleucyl-(3S,4S)-3-hydroxy-4-methyloctanoyl-L-phenylalanyl]
| Molecular Formula | C27H41N3O5 |
|---|---|
| Molecular Weight | 487.30 g/mol |
| LogP | 2.8913 |
| Topological Polar Surface Area | 113.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.30463 |
| Heavy Atoms | 35 |
| Complexity | 859.6325 |
Chemical Identifiers
| CAS Number | 221111-70-2 |
|---|---|
| SMILES | CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O1)[C@@H](C)CC)C)CC2=CC=CC=C2 |
Product Overview
Beauveriolide III (CAS 221111-70-2), with molecular formula C27H41N3O5 and molecular weight 487.30 g/mol. IUPAC: (3R,6S,9S,13S)-9-benzyl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone.
Chemical Property Profile of Beauveriolide III
Property Insights of Beauveriolide III
The XLogP value of 2.8913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Beauveriolide III. The TPSA of 113.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Beauveriolide III. Following Lipinski's Rule of Five, Beauveriolide III has 3 hydrogen bond donor(s) and 5 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 Beauveriolide III?
The CAS number of Beauveriolide III is 221111-70-2.
What is the molecular formula of Beauveriolide III?
The molecular formula of Beauveriolide III is C27H41N3O5.
What is the molecular weight of Beauveriolide III?
The molecular weight of Beauveriolide III is 487.30 g/mol.
Where can I buy Beauveriolide III?
You can request a quote for Beauveriolide III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beauveriolide III?
Yes, KEHONG BIO provides custom synthesis services for Beauveriolide III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.