1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane
TL;DR: 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane (CAS 64811-38-7) is a chemical compound with molecular formula C29H40O12 and molecular weight 580.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;dimethyl benzene-1,3-dicarboxylate;dimethyl benzene-1,4-dicarboxylate;2-methyloxirane;oxirane
Also Known As: 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane, 1,3-Benzenedicarboxylic acid, dimethyl ester, polymer with 1,4-butanediol, dimethyl 1,4-benzenedicarboxylate, methyloxirane and oxirane, (C10-H10-O4.C10-H10-O4.C4-H10-O2.C3-H6-O.C2-H4-O)x-, butane-1,4-diol; dimethyl benzene-1,3-dicarboxylate; dimethyl benzene-1,4-dicarboxylate; 2-methyloxirane; oxirane, POLYMER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER; 1,3-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER; 1,4-BUTANEDIOL; ETHYLENE OXIDE AND PROPYLENE OXIDE
| Molecular Formula | C29H40O12 |
|---|---|
| Molecular Weight | 580.25 g/mol |
| LogP | 2.6925 |
| Topological Polar Surface Area | 170.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 580.25195 |
| Heavy Atoms | 41 |
| Complexity | 957.3425 |
Chemical Identifiers
| CAS Number | 64811-38-7 |
|---|---|
| SMILES | CC1CO1.COC(=O)C1=CC=C(C=C1)C(=O)OC.COC(=O)C1=CC(=CC=C1)C(=O)OC.C1CO1.C(CCO)CO |
Product Overview
1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane (CAS 64811-38-7), with molecular formula C29H40O12 and molecular weight 580.25 g/mol. IUPAC: butane-1,4-diol;dimethyl benzene-1,3-dicarboxylate;dimethyl benzene-1,4-dicarboxylate;2-methyloxirane;oxirane.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane
Property Insights of 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane
The XLogP value of 2.6925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane. The TPSA of 170.72 Ų indicates high polarity, suggesting 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane?
The CAS number of 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane is 64811-38-7.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane?
The molecular formula of 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane is C29H40O12.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane?
The molecular weight of 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane is 580.25 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane?
You can request a quote for 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester, polymer with 1,4-butanediol, 1,4-dimethyl 1,4-benzenedicarboxylate, 2-methyloxirane and oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.