(C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-
TL;DR: (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- (CAS 72018-01-0) is a chemical compound with molecular formula C27H46O12 and molecular weight 562.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid;2,2,4-trimethylpentane-1,3-diol
Also Known As: (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-, Neopentyl glycol isophthalic acid, adipic acid 2,2,4-trimethyl-1,3-pentanediol polymer, 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, hexanedioic acid and 2,2,4-trimethyl-1,3-pentanediol, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; 2,2,4-trimethylpentane-1,3-diol
| Molecular Formula | C27H46O12 |
|---|---|
| Molecular Weight | 562.30 g/mol |
| LogP | 2.818 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 562.29895 |
| Heavy Atoms | 39 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 72018-01-0 |
|---|---|
| SMILES | CC(C)C(C(C)(C)CO)O.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | ZBYCCBDOYPRSBP-UHFFFAOYSA-N |
Product Overview
(C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- (CAS 72018-01-0), with molecular formula C27H46O12 and molecular weight 562.30 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid;2,2,4-trimethylpentane-1,3-diol.
Chemical Property Profile of (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-
Property Insights of (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-
The XLogP value of 2.818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-. The TPSA of 230.0 Ų indicates high polarity, suggesting (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- has 8 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 (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-?
The CAS number of (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- is 72018-01-0.
What is the molecular formula of (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-?
The molecular formula of (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- is C27H46O12.
What is the molecular weight of (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-?
The molecular weight of (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- is 562.30 g/mol.
Where can I buy (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-?
You can request a quote for (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H18-O2.C8-H6-O4.C6-H10-O4.C5-H12-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.