BIM-0021013.P001
TL;DR: BIM-0021013.P001 (CAS 405894-72-6) is a chemical compound with molecular formula C23H22N2O8 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]-4,5-dimethoxybenzoic acid
Also Known As: BIM-0021013.P001, 2-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-4,5-dimethoxybenzoic acid, 2-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]-4,5-dimethoxybenzoic acid, 2-[1,3-DIOXO-2-(OXOLAN-2-YLMETHYL)ISOINDOLE-5-AMIDO]-4,5-DIMETHOXYBENZOIC ACID, 2-(1,3-dioxo-2-((tetrahydrofuran-2-yl)methyl)isoindoline-5-carboxamido)-4,5-dimethoxybenzoic acid
| Molecular Formula | C23H22N2O8 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 2.4293 |
| Topological Polar Surface Area | 131.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.1376 |
| Heavy Atoms | 33 |
| Complexity | 1153.3906 |
Chemical Identifiers
| CAS Number | 405894-72-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)OC |
Product Overview
BIM-0021013.P001 (CAS 405894-72-6), with molecular formula C23H22N2O8 and molecular weight 454.14 g/mol. IUPAC: 2-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]-4,5-dimethoxybenzoic acid.
Chemical Property Profile of BIM-0021013.P001
Property Insights of BIM-0021013.P001
The XLogP value of 2.4293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0021013.P001. The TPSA of 131.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0021013.P001. Following Lipinski's Rule of Five, BIM-0021013.P001 has 2 hydrogen bond donor(s) and 7 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 BIM-0021013.P001?
The CAS number of BIM-0021013.P001 is 405894-72-6.
What is the molecular formula of BIM-0021013.P001?
The molecular formula of BIM-0021013.P001 is C23H22N2O8.
What is the molecular weight of BIM-0021013.P001?
The molecular weight of BIM-0021013.P001 is 454.14 g/mol.
Where can I buy BIM-0021013.P001?
You can request a quote for BIM-0021013.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0021013.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0021013.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.