1R-1302
TL;DR: 1R-1302 (CAS 477872-70-1) is a chemical compound with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-(cyclohexylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: 1R-1302, methyl 3-{2-[2-(cyclohexylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate, methyl 3-[2-[2-(cyclohexylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate, methyl 3-{2-[(cyclohexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate, methyl3-{2-[(cyclohexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
| Molecular Formula | C22H22N2O4S |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.1102 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.13004 |
| Heavy Atoms | 29 |
| Complexity | 1075.6171 |
Chemical Identifiers
| CAS Number | 477872-70-1 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4CCCCC4 |
Product Overview
1R-1302 (CAS 477872-70-1), with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol. IUPAC: methyl 3-[2-[2-(cyclohexylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 1R-1302
Property Insights of 1R-1302
The XLogP value of 4.1102 indicates that 1R-1302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1R-1302. Following Lipinski's Rule of Five, 1R-1302 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 1R-1302?
The CAS number of 1R-1302 is 477872-70-1.
What is the molecular formula of 1R-1302?
The molecular formula of 1R-1302 is C22H22N2O4S.
What is the molecular weight of 1R-1302?
The molecular weight of 1R-1302 is 410.13 g/mol.
Where can I buy 1R-1302?
You can request a quote for 1R-1302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1R-1302?
Yes, KEHONG BIO provides custom synthesis services for 1R-1302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.