(C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-
TL;DR: (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- (CAS 69961-72-4) is a chemical compound with molecular formula C25H24Br2O11 and molecular weight 657.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;2-benzofuran-1,3-dione;2,2-bis(bromomethyl)propane-1,3-diol;furan-2,5-dione
Also Known As: (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-, 1,3-Isobenzofurandione, polymer with 2,2-bis(bromomethyl)-1,3-propanediol, 2,5-furandione and 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione, Maleic anhydride, phthalic anhydride, tetrahydrophthalic anhydride,dibromoneopentyl glycol polymer, 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; 2-benzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; furan-2,5-dione
| Molecular Formula | C25H24Br2O11 |
|---|---|
| Molecular Weight | 657.97 g/mol |
| LogP | 2.0226 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 657.96857 |
| Heavy Atoms | 38 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 69961-72-4 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(C(CO)(CBr)CBr)O |
| InChIKey | QUOYWKRIIOCJAQ-UHFFFAOYSA-N |
Product Overview
(C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- (CAS 69961-72-4), with molecular formula C25H24Br2O11 and molecular weight 657.97 g/mol. IUPAC: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;2-benzofuran-1,3-dione;2,2-bis(bromomethyl)propane-1,3-diol;furan-2,5-dione.
Chemical Property Profile of (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-
Property Insights of (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-
The XLogP value of 2.0226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-. The TPSA of 171.0 Ų indicates high polarity, suggesting (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-?
The CAS number of (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- is 69961-72-4.
What is the molecular formula of (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-?
The molecular formula of (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- is C25H24Br2O11.
What is the molecular weight of (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-?
The molecular weight of (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- is 657.97 g/mol.
Where can I buy (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-?
You can request a quote for (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H8-O3.C8-H4-O3.C5-H10-Br2-O2.C4-H2-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.