4R-0025
TL;DR: 4R-0025 (CAS 1397003-62-1) is a chemical compound with molecular formula C27H34N2O8S2 and molecular weight 578.17566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]oxyethoxy]ethylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: 4R-0025, 2-[(tert-butoxycarbonyl)amino]-3-({2-[2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-4-yl}oxy)ethoxy]ethyl}sulfanyl)propanoic acid, 3-[2-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]oxyethoxy]ethylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, 2-{[(tert-butoxy)carbonyl]amino}-3-{[2-(2-{[1-(4-methylbenzenesulfonyl)-1H-indol-4-yl]oxy}ethoxy)ethyl]sulfanyl}propanoic acid
Technical Specifications
| Molecular Formula | C27H34N2O8S2 |
| Molecular Weight | 578.17566 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 578.17566 Da |
| Heavy Atoms | 39 |
| Complexity | 896.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3OCCOCCSCC(C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | XJDFSRFQAURFPK-UHFFFAOYSA-N |
Chemical Property Profile of 4R-0025
Property Insights of 4R-0025
The XLogP value of 4.4 indicates that 4R-0025 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting 4R-0025 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4R-0025 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4R-0025?
The CAS number of 4R-0025 is 1397003-62-1.
What is the molecular formula of 4R-0025?
The molecular formula of 4R-0025 is C27H34N2O8S2.
What is the molecular weight of 4R-0025?
The molecular weight of 4R-0025 is 578.17566 g/mol.
Where can I buy 4R-0025?
You can request a quote for 4R-0025 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4R-0025?
Yes, CoreyChem provides custom synthesis services for 4R-0025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.