Dimethyl dihydrogen 4,4'-carbonylbisphthalate
TL;DR: Dimethyl dihydrogen 4,4'-carbonylbisphthalate (CAS 36928-64-0) is a chemical compound with molecular formula C19H14O9 and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-carboxy-4-methoxycarbonylbenzoyl)-2-methoxycarbonylbenzoic acid
Also Known As: ar,ar'-Dimethyl 4,4'-carbonyldiphthalate, EINECS 253-276-1, Dimethyl dihydrogen 4,4'-carbonylbisphthalate, J1.211.964J, 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, ar,ar'-dimethyl ester
| Molecular Formula | C19H14O9 |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 1.8872 |
| Topological Polar Surface Area | 144.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.06378 |
| Heavy Atoms | 28 |
| Complexity | 924.95905 |
Chemical Identifiers
| CAS Number | 36928-64-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)OC)C(=O)O)C(=O)O |
Product Overview
Dimethyl dihydrogen 4,4'-carbonylbisphthalate (CAS 36928-64-0), with molecular formula C19H14O9 and molecular weight 386.06 g/mol. IUPAC: 5-(3-carboxy-4-methoxycarbonylbenzoyl)-2-methoxycarbonylbenzoic acid.
Chemical Property Profile of Dimethyl dihydrogen 4,4'-carbonylbisphthalate
Property Insights of Dimethyl dihydrogen 4,4'-carbonylbisphthalate
The XLogP value of 1.8872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl dihydrogen 4,4'-carbonylbisphthalate. The TPSA of 144.27 Ų indicates high polarity, suggesting Dimethyl dihydrogen 4,4'-carbonylbisphthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl dihydrogen 4,4'-carbonylbisphthalate 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 Dimethyl dihydrogen 4,4'-carbonylbisphthalate?
The CAS number of Dimethyl dihydrogen 4,4'-carbonylbisphthalate is 36928-64-0.
What is the molecular formula of Dimethyl dihydrogen 4,4'-carbonylbisphthalate?
The molecular formula of Dimethyl dihydrogen 4,4'-carbonylbisphthalate is C19H14O9.
What is the molecular weight of Dimethyl dihydrogen 4,4'-carbonylbisphthalate?
The molecular weight of Dimethyl dihydrogen 4,4'-carbonylbisphthalate is 386.06 g/mol.
Where can I buy Dimethyl dihydrogen 4,4'-carbonylbisphthalate?
You can request a quote for Dimethyl dihydrogen 4,4'-carbonylbisphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl dihydrogen 4,4'-carbonylbisphthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl dihydrogen 4,4'-carbonylbisphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.