butan-1-(2H)ol
TL;DR: butan-1-(2H)ol (CAS 4712-38-3) is a chemical compound with molecular formula C4H10O and molecular weight 75.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-deuteriooxybutane
Also Known As: Butanol-d1, 1-deuteriooxybutane, Butan-1-(2H)ol, 1-Butanol-d, Butyl alcohol-d
| Molecular Formula | C4H10O |
|---|---|
| Molecular Weight | 75.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 75.079445 |
| Heavy Atoms | 5 |
| Complexity | 13.0 |
Chemical Identifiers
| CAS Number | 4712-38-3 |
|---|---|
| SMILES | [2H]OCCCC |
| InChIKey | LRHPLDYGYMQRHN-UICOGKGYSA-N |
Product Overview
butan-1-(2H)ol (CAS 4712-38-3), with molecular formula C4H10O and molecular weight 75.08 g/mol. IUPAC: 1-deuteriooxybutane.
Chemical Property Profile of butan-1-(2H)ol
Property Insights of butan-1-(2H)ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butan-1-(2H)ol. With a topological polar surface area (TPSA) of 20.2 Ų, butan-1-(2H)ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butan-1-(2H)ol 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 butan-1-(2H)ol?
The CAS number of butan-1-(2H)ol is 4712-38-3.
What is the molecular formula of butan-1-(2H)ol?
The molecular formula of butan-1-(2H)ol is C4H10O.
What is the molecular weight of butan-1-(2H)ol?
The molecular weight of butan-1-(2H)ol is 75.08 g/mol.
Where can I buy butan-1-(2H)ol?
You can request a quote for butan-1-(2H)ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butan-1-(2H)ol?
Yes, KEHONG BIO provides custom synthesis services for butan-1-(2H)ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.