I5B2
TL;DR: I5B2 (CAS 57448-85-8) is a chemical compound with molecular formula C23H32N3O7P and molecular weight 493.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
Also Known As: I5B2, Antibiotic I5B2, I5-B2, [2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid, n-methyl-l-valyl-n-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-l-tyrosinamide
| Molecular Formula | C23H32N3O7P |
|---|---|
| Molecular Weight | 493.20 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 493.19778 |
| Heavy Atoms | 34 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 57448-85-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)P(=O)(O)O)NC |
| InChIKey | AFAFFSSNAUKMNO-YSTUSHMSSA-N |
Product Overview
I5B2 (CAS 57448-85-8), with molecular formula C23H32N3O7P and molecular weight 493.20 g/mol. IUPAC: [2-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl]amino]ethyl]phosphonic acid.
Chemical Property Profile of I5B2
Property Insights of I5B2
The XLogP value of -0.9 indicates that I5B2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting I5B2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I5B2 has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of I5B2?
The CAS number of I5B2 is 57448-85-8.
What is the molecular formula of I5B2?
The molecular formula of I5B2 is C23H32N3O7P.
What is the molecular weight of I5B2?
The molecular weight of I5B2 is 493.20 g/mol.
Where can I buy I5B2?
You can request a quote for I5B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I5B2?
Yes, KEHONG BIO provides custom synthesis services for I5B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.