1R-1306
TL;DR: 1R-1306 (CAS 477872-73-4) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-(hexylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate
Also Known As: 1R-1306, methyl 3-{2-[2-(hexylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate, methyl 3-[2-[2-(hexylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate, methyl 3-{2-[(hexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate, methyl3-{2-[(hexylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1-benzothiophene-2-carboxylate
| Molecular Formula | C22H24N2O4S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.3578 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.1457 |
| Heavy Atoms | 29 |
| Complexity | 1034.5433 |
Chemical Identifiers
| CAS Number | 477872-73-4 |
|---|---|
| SMILES | CCCCCCNC(=O)C(=O)C1=CC=CN1C2=C(SC3=CC=CC=C32)C(=O)OC |
Product Overview
1R-1306 (CAS 477872-73-4), with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol. IUPAC: methyl 3-[2-[2-(hexylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 1R-1306
Property Insights of 1R-1306
The XLogP value of 4.3578 indicates that 1R-1306 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-1306. Following Lipinski's Rule of Five, 1R-1306 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-1306?
The CAS number of 1R-1306 is 477872-73-4.
What is the molecular formula of 1R-1306?
The molecular formula of 1R-1306 is C22H24N2O4S.
What is the molecular weight of 1R-1306?
The molecular weight of 1R-1306 is 412.15 g/mol.
Where can I buy 1R-1306?
You can request a quote for 1R-1306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1R-1306?
Yes, KEHONG BIO provides custom synthesis services for 1R-1306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.