1-Butoxy-3-phenoxy-2-propanol
TL;DR: 1-Butoxy-3-phenoxy-2-propanol (CAS 3102-00-9) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-3-phenoxypropan-2-ol
Also Known As: Febuprol, Valbil, valbilan, 1-butoxy-3-phenoxypropan-2-ol, Febuprolum
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 3102-00-9 |
|---|---|
| SMILES | CCCCOCC(COC1=CC=CC=C1)O |
| InChIKey | WBLXZPHICYCDGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butoxy-3-phenoxy-2-propanol (CAS 3102-00-9), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: 1-butoxy-3-phenoxypropan-2-ol.
Chemical Property Profile of 1-Butoxy-3-phenoxy-2-propanol
Property Insights of 1-Butoxy-3-phenoxy-2-propanol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butoxy-3-phenoxy-2-propanol. With a topological polar surface area (TPSA) of 38.7 Ų, 1-Butoxy-3-phenoxy-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-3-phenoxy-2-propanol has 1 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 1-Butoxy-3-phenoxy-2-propanol?
The CAS number of 1-Butoxy-3-phenoxy-2-propanol is 3102-00-9.
What is the molecular formula of 1-Butoxy-3-phenoxy-2-propanol?
The molecular formula of 1-Butoxy-3-phenoxy-2-propanol is C13H20O3.
What is the molecular weight of 1-Butoxy-3-phenoxy-2-propanol?
The molecular weight of 1-Butoxy-3-phenoxy-2-propanol is 224.14 g/mol.
Where can I buy 1-Butoxy-3-phenoxy-2-propanol?
You can request a quote for 1-Butoxy-3-phenoxy-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-3-phenoxy-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-3-phenoxy-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.