1,4-Dibromo-2-butanol
TL;DR: 1,4-Dibromo-2-butanol (CAS 19398-47-1) is a chemical compound with molecular formula C4H8Br2O and molecular weight 229.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibromobutan-2-ol
Also Known As: 1,4-Dibromobutan-2-ol, 1,4-Dibromo-2-butanol, 2-BUTANOL, 1,4-DIBROMO-, (S)-1,4-Dibromobutan-2-ol, 2-Butanol,4-dibromo-
| Molecular Formula | C4H8Br2O |
|---|---|
| Molecular Weight | 229.89 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.89214 |
| Heavy Atoms | 7 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 19398-47-1 |
|---|---|
| SMILES | C(CBr)C(CBr)O |
| InChIKey | PSSRAPMBSMSACN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dibromo-2-butanol (CAS 19398-47-1), with molecular formula C4H8Br2O and molecular weight 229.89 g/mol. IUPAC: 1,4-dibromobutan-2-ol.
Chemical Property Profile of 1,4-Dibromo-2-butanol
Property Insights of 1,4-Dibromo-2-butanol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dibromo-2-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1,4-Dibromo-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibromo-2-butanol has 1 hydrogen bond donor(s) and 1 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 1,4-Dibromo-2-butanol?
The CAS number of 1,4-Dibromo-2-butanol is 19398-47-1.
What is the molecular formula of 1,4-Dibromo-2-butanol?
The molecular formula of 1,4-Dibromo-2-butanol is C4H8Br2O.
What is the molecular weight of 1,4-Dibromo-2-butanol?
The molecular weight of 1,4-Dibromo-2-butanol is 229.89 g/mol.
Where can I buy 1,4-Dibromo-2-butanol?
You can request a quote for 1,4-Dibromo-2-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibromo-2-butanol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibromo-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.