2-(4,5-二甲氧基-2-硝基苯基)丁二酸
TL;DR: 2-(4,5-二甲氧基-2-硝基苯基)丁二酸 (CAS 100193-44-0) is a chemical compound with molecular formula C12H13NO8 and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-二甲氧基-2-硝基苯基)丁二酸
2-(4,5-dimethoxy-2-nitrophenyl)butanedioic acid
Also Known As: 2-(4,5-dimethoxy-2-nitrophenyl)succinic acid, 2-(4,5-dimethoxy-2-nitrophenyl)butanedioic acid, 2-(4,5-dimethoxy-2-nitrophenyl)succinicacid, butanedioic acid, 2-(4,5-dimethoxy-2-nitrophenyl)-, 2-(4,5-dimethoxy-2-nitro-phenyl)butanedioic acid
| Molecular Formula | C12H13NO8 |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.06412 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 100193-44-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(CC(=O)O)C(=O)O)[N+](=O)[O-])OC |
| InChIKey | HFPBTJCGXNRHNB-UHFFFAOYSA-N |
Product Overview
2-(4,5-二甲氧基-2-硝基苯基)丁二酸 (CAS 100193-44-0), with molecular formula C12H13NO8 and molecular weight 299.06 g/mol. IUPAC: 2-(4,5-dimethoxy-2-nitrophenyl)butanedioic acid.
Chemical Property Profile of 2-(4,5-二甲氧基-2-硝基苯基)丁二酸
Property Insights of 2-(4,5-二甲氧基-2-硝基苯基)丁二酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,5-二甲氧基-2-硝基苯基)丁二酸. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,5-二甲氧基-2-硝基苯基)丁二酸. Following Lipinski's Rule of Five, 2-(4,5-二甲氧基-2-硝基苯基)丁二酸 has 2 hydrogen bond donor(s) and 8 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 2-(4,5-二甲氧基-2-硝基苯基)丁二酸?
The CAS number of 2-(4,5-二甲氧基-2-硝基苯基)丁二酸 is 100193-44-0.
What is the molecular formula of 2-(4,5-二甲氧基-2-硝基苯基)丁二酸?
The molecular formula of 2-(4,5-二甲氧基-2-硝基苯基)丁二酸 is C12H13NO8.
What is the molecular weight of 2-(4,5-二甲氧基-2-硝基苯基)丁二酸?
The molecular weight of 2-(4,5-二甲氧基-2-硝基苯基)丁二酸 is 299.06 g/mol.
Where can I buy 2-(4,5-二甲氧基-2-硝基苯基)丁二酸?
You can request a quote for 2-(4,5-二甲氧基-2-硝基苯基)丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,5-二甲氧基-2-硝基苯基)丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-二甲氧基-2-硝基苯基)丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.