KST-1A0472
TL;DR: KST-1A0472 (CAS 106795-36-2) is a chemical compound with molecular formula C25H22N2O6S and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-methylphenyl)sulfonyl-4-(4-phenylmethoxycarbonyl-1H-pyrrol-3-yl)pyrrole-2-carboxylate
Also Known As: KST-1A0472, NCI60_028457, (3,3'-bi-1H-Pyrrole)-4,5'-dicarboxylic acid, 1'-((4-methylphenyl)sulfonyl)-, 5'-methyl 4-(phenylmethyl) ester, methyl 1-(4-methylphenyl)sulfonyl-4-(4-phenylmethoxycarbonyl-1H-pyrrol-3-yl)pyrrole-2-carboxylate, 4-Benzyl 5'-methyl 1'-tosyl-1H,1'H-[3,3'-bipyrrole]-4,5'-dicarboxylate
| Molecular Formula | C25H22N2O6S |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.11984 |
| Heavy Atoms | 34 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 106795-36-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=CNC=C3C(=O)OCC4=CC=CC=C4 |
| InChIKey | QKVKUVRBAUWJGI-UHFFFAOYSA-N |
Product Overview
KST-1A0472 (CAS 106795-36-2), with molecular formula C25H22N2O6S and molecular weight 478.12 g/mol. IUPAC: methyl 1-(4-methylphenyl)sulfonyl-4-(4-phenylmethoxycarbonyl-1H-pyrrol-3-yl)pyrrole-2-carboxylate.
Chemical Property Profile of KST-1A0472
Property Insights of KST-1A0472
The XLogP value of 4.2 indicates that KST-1A0472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0472. Following Lipinski's Rule of Five, KST-1A0472 has 1 hydrogen bond donor(s) and 6 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 KST-1A0472?
The CAS number of KST-1A0472 is 106795-36-2.
What is the molecular formula of KST-1A0472?
The molecular formula of KST-1A0472 is C25H22N2O6S.
What is the molecular weight of KST-1A0472?
The molecular weight of KST-1A0472 is 478.12 g/mol.
Where can I buy KST-1A0472?
You can request a quote for KST-1A0472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0472?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.