(C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-
TL;DR: (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x- (CAS 68133-51-7) is a chemical compound with molecular formula C28H32O13 and molecular weight 576.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;benzene-1,3-dicarboxylic acid;butane-1,4-diol;terephthalic acid
Also Known As: (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-, 1,4-Butanediol, terephthalic acid, isophthalic acid, hexahydrophthalic anhydride polymer, 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,4-butanediol and hexahydro-1,3-isobenzofurandione, 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; benzene-1,3-dicarboxylic acid; butane-1,4-diol; terephthalic acid
| Molecular Formula | C28H32O13 |
|---|---|
| Molecular Weight | 576.18 g/mol |
| LogP | 2.7934 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 576.18427 |
| Heavy Atoms | 41 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 68133-51-7 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCO)CO |
| InChIKey | KFOVJGASVZDTPW-UHFFFAOYSA-N |
Product Overview
(C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x- (CAS 68133-51-7), with molecular formula C28H32O13 and molecular weight 576.18 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;benzene-1,3-dicarboxylic acid;butane-1,4-diol;terephthalic acid.
Chemical Property Profile of (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-
Property Insights of (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-
The XLogP value of 2.7934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-. The TPSA of 233.0 Ų indicates high polarity, suggesting (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x- has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-?
The CAS number of (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x- is 68133-51-7.
What is the molecular formula of (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-?
The molecular formula of (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x- is C28H32O13.
What is the molecular weight of (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-?
The molecular weight of (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x- is 576.18 g/mol.
Where can I buy (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-?
You can request a quote for (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-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-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H10-O3.C8-H6-O4.C8-H6-O4.C4-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.