2-Phthalimidoethyl propionate
TL;DR: 2-Phthalimidoethyl propionate (CAS 61315-98-8) is a chemical compound with molecular formula C38H42CaO18S2 and molecular weight 890.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate)
Also Known As: 2-Phthalimidoethyl propionate, 1-Propanesulfonic acid, 3-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-, calcium salt (2:1), 3-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-1-propanesulfonic acid calcium salt (2:1), calcium 3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate, Calcium bis(3-{3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy}propane-1-sulfonate)
| Molecular Formula | C38H42CaO18S2 |
|---|---|
| Molecular Weight | 890.14 g/mol |
| LogP | 3.5024 |
| Topological Polar Surface Area | 324.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Exact Mass | 890.14386 |
| Heavy Atoms | 59 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 61315-98-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCCCS(=O)(=O)[O-])O)O.COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCCCS(=O)(=O)[O-])O)O.[Ca+2] |
| InChIKey | QYQCMZDVUBLTNS-UHFFFAOYSA-L |
Product Overview
2-Phthalimidoethyl propionate (CAS 61315-98-8), with molecular formula C38H42CaO18S2 and molecular weight 890.14 g/mol. IUPAC: calcium bis(3-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]propane-1-sulfonate).
Chemical Property Profile of 2-Phthalimidoethyl propionate
Property Insights of 2-Phthalimidoethyl propionate
The XLogP value of 3.5024 indicates that 2-Phthalimidoethyl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 324.0 Ų indicates high polarity, suggesting 2-Phthalimidoethyl propionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Phthalimidoethyl propionate has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Phthalimidoethyl propionate?
The CAS number of 2-Phthalimidoethyl propionate is 61315-98-8.
What is the molecular formula of 2-Phthalimidoethyl propionate?
The molecular formula of 2-Phthalimidoethyl propionate is C38H42CaO18S2.
What is the molecular weight of 2-Phthalimidoethyl propionate?
The molecular weight of 2-Phthalimidoethyl propionate is 890.14 g/mol.
Where can I buy 2-Phthalimidoethyl propionate?
You can request a quote for 2-Phthalimidoethyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phthalimidoethyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phthalimidoethyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.