CRL-42872 free base
TL;DR: CRL-42872 free base (CAS 256344-23-7) is a chemical compound with molecular formula C22H26N6O6S and molecular weight 502.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoic acid
Also Known As: CRL-42872 free base, CRL42872 (free base), L-Alanine, 3-(((4-(4-(aminoiminomethyl)phenyl)-2-oxo-1-piperazinyl)acetyl)amino)-N-(phenylsulfonyl)-, (2S)-2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoic acid, (S)-3-(2-(4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl)acetamido)-2-(phenylsulfonamido)propanoic acid
| Molecular Formula | C22H26N6O6S |
|---|---|
| Molecular Weight | 502.16 g/mol |
| LogP | -0.83283 |
| Topological Polar Surface Area | 185.99 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.16345 |
| Heavy Atoms | 35 |
| Complexity | 1202.7018 |
Chemical Identifiers
| CAS Number | 256344-23-7 |
|---|---|
| SMILES | C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C3=CC=CC=C3 |
Product Overview
CRL-42872 free base (CAS 256344-23-7), with molecular formula C22H26N6O6S and molecular weight 502.16 g/mol. IUPAC: (2S)-2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoic acid.
Chemical Property Profile of CRL-42872 free base
Property Insights of CRL-42872 free base
The XLogP value of -0.83283 indicates that CRL-42872 free base is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.99 Ų indicates high polarity, suggesting CRL-42872 free base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CRL-42872 free base has 5 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 CRL-42872 free base?
The CAS number of CRL-42872 free base is 256344-23-7.
What is the molecular formula of CRL-42872 free base?
The molecular formula of CRL-42872 free base is C22H26N6O6S.
What is the molecular weight of CRL-42872 free base?
The molecular weight of CRL-42872 free base is 502.16 g/mol.
Where can I buy CRL-42872 free base?
You can request a quote for CRL-42872 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CRL-42872 free base?
Yes, KEHONG BIO provides custom synthesis services for CRL-42872 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.