Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one
TL;DR: Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one (CAS 103694-75-3) is a chemical compound with molecular formula C25H34O7 and molecular weight 446.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenyl carbonate;hexane-1,6-diol;oxepan-2-one
Also Known As: diphenyl carbonate; hexane-1,6-diol; oxepan-2-one, (C13-H10-O3.C6-H14-O2.C6-H10-O2)x-, Carbonic acid, diphenyl ester, polymer with 1,6-hexanediol and 2-oxepanone
| Molecular Formula | C25H34O7 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 4.8994 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.23044 |
| Heavy Atoms | 32 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 103694-75-3 |
|---|---|
| SMILES | C1CCC(=O)OCC1.C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2.C(CCCO)CCO |
| InChIKey | JCYHBQCYMZOSPP-UHFFFAOYSA-N |
Product Overview
Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one (CAS 103694-75-3), with molecular formula C25H34O7 and molecular weight 446.23 g/mol. IUPAC: diphenyl carbonate;hexane-1,6-diol;oxepan-2-one.
Chemical Property Profile of Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one
Property Insights of Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one
The XLogP value of 4.8994 indicates that Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one. Following Lipinski's Rule of Five, Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one 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 Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one?
The CAS number of Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one is 103694-75-3.
What is the molecular formula of Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one?
The molecular formula of Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one is C25H34O7.
What is the molecular weight of Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one?
The molecular weight of Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one is 446.23 g/mol.
Where can I buy Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one?
You can request a quote for Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl carbonate;hexane-1,6-diol;oxepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.