2R-0631
TL;DR: 2R-0631 (CAS 477889-65-9) is a chemical compound with molecular formula C23H19NO5S and molecular weight 421.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-methoxy-3-oxo-2-(3-oxo-1H-isoindol-2-yl)propyl]phenyl] thiophene-2-carboxylate
Also Known As: 2R-0631, 4-[3-methoxy-3-oxo-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propyl]phenyl 2-thiophenecarboxylate, [4-[3-methoxy-3-oxo-2-(3-oxo-1H-isoindol-2-yl)propyl]phenyl] thiophene-2-carboxylate, 4-[3-methoxy-3-oxo-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propyl]phenyl thiophene-2-carboxylate, [4-[2-methoxycarbonyl-2-(3-oxo-1H-isoindol-2-yl)ethyl]phenyl] Thiophene-2-carboxylate
| Molecular Formula | C23H19NO5S |
|---|---|
| Molecular Weight | 421.10 g/mol |
| LogP | 3.7074 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.0984 |
| Heavy Atoms | 30 |
| Complexity | 1075.2377 |
Chemical Identifiers
| CAS Number | 477889-65-9 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=CS2)N3CC4=CC=CC=C4C3=O |
Product Overview
2R-0631 (CAS 477889-65-9), with molecular formula C23H19NO5S and molecular weight 421.10 g/mol. IUPAC: [4-[3-methoxy-3-oxo-2-(3-oxo-1H-isoindol-2-yl)propyl]phenyl] thiophene-2-carboxylate.
Chemical Property Profile of 2R-0631
Property Insights of 2R-0631
The XLogP value of 3.7074 indicates that 2R-0631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-0631. Following Lipinski's Rule of Five, 2R-0631 has 0 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 2R-0631?
The CAS number of 2R-0631 is 477889-65-9.
What is the molecular formula of 2R-0631?
The molecular formula of 2R-0631 is C23H19NO5S.
What is the molecular weight of 2R-0631?
The molecular weight of 2R-0631 is 421.10 g/mol.
Where can I buy 2R-0631?
You can request a quote for 2R-0631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-0631?
Yes, KEHONG BIO provides custom synthesis services for 2R-0631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.