Dibutan-2-yl carbonate
TL;DR: Dibutan-2-yl carbonate (CAS 623-63-2) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutan-2-yl carbonate
Also Known As: dibutan-2-yl carbonate, Di-sec-butyl carbonate, Carbonic acid di-sec-butyl ester, Di(butan-2-yl) carbonate, bis(butan-2-yl) carbonate
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 623-63-2 |
|---|---|
| SMILES | CCC(C)OC(=O)OC(C)CC |
| InChIKey | RYRWDTRXCNOMOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutan-2-yl carbonate (CAS 623-63-2), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: dibutan-2-yl carbonate.
Chemical Property Profile of Dibutan-2-yl carbonate
Property Insights of Dibutan-2-yl carbonate
The XLogP value of 3.2 indicates that Dibutan-2-yl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Dibutan-2-yl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutan-2-yl carbonate has 0 hydrogen bond donor(s) and 3 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 Dibutan-2-yl carbonate?
The CAS number of Dibutan-2-yl carbonate is 623-63-2.
What is the molecular formula of Dibutan-2-yl carbonate?
The molecular formula of Dibutan-2-yl carbonate is C9H18O3.
What is the molecular weight of Dibutan-2-yl carbonate?
The molecular weight of Dibutan-2-yl carbonate is 174.13 g/mol.
Where can I buy Dibutan-2-yl carbonate?
You can request a quote for Dibutan-2-yl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutan-2-yl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Dibutan-2-yl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.