Aerophobin 2
TL;DR: Aerophobin 2 (CAS 87075-23-8) is a chemical compound with molecular formula C16H19Br2N5O4 and molecular weight 502.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-N-[3-(2-amino-1H-imidazol-5-yl)propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: Aerophobin 2, 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(2-amino-1H-imidazol-4-yl)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S,10R)-, (5S,6R)-N-[3-(2-amino-1H-imidazol-5-yl)propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide, (5S,10R)-N-[3-(2-Amino-1H-imidazol-5-yl)propyl]-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, (5S,10R)-N-[3-(2-amino-1H-imidazol-5-yl)propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
| Molecular Formula | C16H19Br2N5O4 |
|---|---|
| Molecular Weight | 502.98 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.98038 |
| Heavy Atoms | 27 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 87075-23-8 |
|---|---|
| SMILES | COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCCCC3=CN=C(N3)N)C=C1Br)O)Br |
| InChIKey | ZSZRBAQVYFYMTR-XJKSGUPXSA-N |
Product Overview
Aerophobin 2 (CAS 87075-23-8), with molecular formula C16H19Br2N5O4 and molecular weight 502.98 g/mol. IUPAC: (5S,6R)-N-[3-(2-amino-1H-imidazol-5-yl)propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.
Chemical Property Profile of Aerophobin 2
Property Insights of Aerophobin 2
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aerophobin 2. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aerophobin 2. Following Lipinski's Rule of Five, Aerophobin 2 has 4 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 Aerophobin 2?
The CAS number of Aerophobin 2 is 87075-23-8.
What is the molecular formula of Aerophobin 2?
The molecular formula of Aerophobin 2 is C16H19Br2N5O4.
What is the molecular weight of Aerophobin 2?
The molecular weight of Aerophobin 2 is 502.98 g/mol.
Where can I buy Aerophobin 2?
You can request a quote for Aerophobin 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aerophobin 2?
Yes, KEHONG BIO provides custom synthesis services for Aerophobin 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.