Compound VIII
TL;DR: Compound VIII (CAS 345266-97-9) is a chemical compound with molecular formula C27H33N3O9 and molecular weight 543.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid
Also Known As: Compound VIII, 1g7f, sulfotyrosyl tripeptide analog 8, 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID, 2-(4-((2S)-2-(((1-Carboxy-2-phenylethyl)carbamoyl)amino)-2-(pentylcarbamoyl)ethyl)phenoxy)propanedioic acid
| Molecular Formula | C27H33N3O9 |
|---|---|
| Molecular Weight | 543.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 543.2217 |
| Heavy Atoms | 39 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 345266-97-9 |
|---|---|
| SMILES | CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O |
| InChIKey | BKONADSQADEJJP-SFTDATJTSA-N |
Product Overview
Compound VIII (CAS 345266-97-9), with molecular formula C27H33N3O9 and molecular weight 543.22 g/mol. IUPAC: 2-[4-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid.
Chemical Property Profile of Compound VIII
Property Insights of Compound VIII
The XLogP value of 3.4 indicates that Compound VIII is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting Compound VIII may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compound VIII has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound VIII?
The CAS number of Compound VIII is 345266-97-9.
What is the molecular formula of Compound VIII?
The molecular formula of Compound VIII is C27H33N3O9.
What is the molecular weight of Compound VIII?
The molecular weight of Compound VIII is 543.22 g/mol.
Where can I buy Compound VIII?
You can request a quote for Compound VIII directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound VIII?
Yes, KEHONG BIO provides custom synthesis services for Compound VIII and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.