9-蒽亚甲基丙二酸二甲酯
TL;DR: 9-蒽亚甲基丙二酸二甲酯 (CAS 7599-09-9) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-蒽亚甲基丙二酸二甲酯
dimethyl 2-(anthracen-9-ylmethylidene)propanedioate
Also Known As: Dimethyl [(anthracen-9-yl)methylidene]propanedioate, dimethyl 2-(anthracen-9-ylmethylidene)propanedioate, J3.333.761B, 2-(Anthracene-9-ylmethylene)malonic acid dimethyl ester, 1,3-dimethyl 2-[(anthracen-9-yl)methylidene]propanedioate
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 7599-09-9 |
|---|---|
| SMILES | COC(=O)C(=CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC |
| InChIKey | LCSRLQSOHBBXCD-UHFFFAOYSA-N |
Product Overview
9-蒽亚甲基丙二酸二甲酯 (CAS 7599-09-9), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: dimethyl 2-(anthracen-9-ylmethylidene)propanedioate.
Chemical Property Profile of 9-蒽亚甲基丙二酸二甲酯
Property Insights of 9-蒽亚甲基丙二酸二甲酯
The XLogP value of 4.8 indicates that 9-蒽亚甲基丙二酸二甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 9-蒽亚甲基丙二酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-蒽亚甲基丙二酸二甲酯 has 0 hydrogen bond donor(s) and 4 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 9-蒽亚甲基丙二酸二甲酯?
The CAS number of 9-蒽亚甲基丙二酸二甲酯 is 7599-09-9.
What is the molecular formula of 9-蒽亚甲基丙二酸二甲酯?
The molecular formula of 9-蒽亚甲基丙二酸二甲酯 is C20H16O4.
What is the molecular weight of 9-蒽亚甲基丙二酸二甲酯?
The molecular weight of 9-蒽亚甲基丙二酸二甲酯 is 320.10 g/mol.
Where can I buy 9-蒽亚甲基丙二酸二甲酯?
You can request a quote for 9-蒽亚甲基丙二酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-蒽亚甲基丙二酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 9-蒽亚甲基丙二酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.