Maybridge1_002051
TL;DR: Maybridge1_002051 (CAS 53365-80-3) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-benzyl 4-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Maybridge1_002051, 2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE, 2-O-benzyl 4-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, 2-benzyl 4-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylicacid, 3-(3-methoxy-3-oxopropyl)-5-methyl-, 4-(1,1-dimethylethyl)2-(phenylmethyl) ester
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 3.74102 |
| Topological Polar Surface Area | 94.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 876.6977 |
Chemical Identifiers
| CAS Number | 53365-80-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)OC(C)(C)C |
Product Overview
Maybridge1_002051 (CAS 53365-80-3), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: 2-O-benzyl 4-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of Maybridge1_002051
Property Insights of Maybridge1_002051
The XLogP value of 3.74102 indicates that Maybridge1_002051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge1_002051. Following Lipinski's Rule of Five, Maybridge1_002051 has 1 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 Maybridge1_002051?
The CAS number of Maybridge1_002051 is 53365-80-3.
What is the molecular formula of Maybridge1_002051?
The molecular formula of Maybridge1_002051 is C22H27NO6.
What is the molecular weight of Maybridge1_002051?
The molecular weight of Maybridge1_002051 is 401.18 g/mol.
Where can I buy Maybridge1_002051?
You can request a quote for Maybridge1_002051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge1_002051?
Yes, KEHONG BIO provides custom synthesis services for Maybridge1_002051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.