S100P-IN-1
TL;DR: S100P-IN-1 (CAS 690991-06-1) is a chemical compound with molecular formula C25H16N2O6 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(15S,19S)-1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoic acid
Also Known As: S100P-IN-1
| Molecular Formula | C25H16N2O6 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 3.1698 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.10083 |
| Heavy Atoms | 33 |
| Complexity | 1365.7659 |
Chemical Identifiers
| CAS Number | 690991-06-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3[C@H]4[C@@H](C2(C5=CC=CC=C35)[N+](=O)[O-])C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O |
Product Overview
S100P-IN-1 (CAS 690991-06-1), with molecular formula C25H16N2O6 and molecular weight 440.10 g/mol. IUPAC: 3-[(15S,19S)-1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoic acid.
Chemical Property Profile of S100P-IN-1
Property Insights of S100P-IN-1
The XLogP value of 3.1698 indicates that S100P-IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for S100P-IN-1. Following Lipinski's Rule of Five, S100P-IN-1 has 1 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 S100P-IN-1?
The CAS number of S100P-IN-1 is 690991-06-1.
What is the molecular formula of S100P-IN-1?
The molecular formula of S100P-IN-1 is C25H16N2O6.
What is the molecular weight of S100P-IN-1?
The molecular weight of S100P-IN-1 is 440.10 g/mol.
Where can I buy S100P-IN-1?
You can request a quote for S100P-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S100P-IN-1?
Yes, KEHONG BIO provides custom synthesis services for S100P-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.