C27H31ClN2O6
TL;DR: C27H31ClN2O6 (CAS 620135-46-8) is a chemical compound with molecular formula C27H31ClN2O6 and molecular weight 514.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-diethoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-diethoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-5-(3,4-diethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one, 5-(3,4-diethoxyphenyl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(2-morpholin-4 -ylethyl)-3-pyrrolin-2-one
| Molecular Formula | C27H31ClN2O6 |
|---|---|
| Molecular Weight | 514.19 g/mol |
| LogP | 3.8913 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.1871 |
| Heavy Atoms | 36 |
| Complexity | 1127.5839 |
Chemical Identifiers
| CAS Number | 620135-46-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCN4CCOCC4)OCC |
Product Overview
C27H31ClN2O6 (CAS 620135-46-8), with molecular formula C27H31ClN2O6 and molecular weight 514.19 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-diethoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of C27H31ClN2O6
Property Insights of C27H31ClN2O6
The XLogP value of 3.8913 indicates that C27H31ClN2O6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H31ClN2O6. Following Lipinski's Rule of Five, C27H31ClN2O6 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H31ClN2O6?
The CAS number of C27H31ClN2O6 is 620135-46-8.
What is the molecular formula of C27H31ClN2O6?
The molecular formula of C27H31ClN2O6 is C27H31ClN2O6.
What is the molecular weight of C27H31ClN2O6?
The molecular weight of C27H31ClN2O6 is 514.19 g/mol.
Where can I buy C27H31ClN2O6?
You can request a quote for C27H31ClN2O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H31ClN2O6?
Yes, KEHONG BIO provides custom synthesis services for C27H31ClN2O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.