1-hydroxy-3,3-dimethyl-2,1
TL;DR: 1-hydroxy-3,3-dimethyl-2,1 (CAS 71401-78-0) is a chemical compound with molecular formula C9H11O3P and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-3,3-dimethyl-2,1λ5-benzoxaphosphole 1-oxide
Also Known As: 1-hydroxy-3,3-dimethyl-2,1, 1-hydroxy-3,3-dimethyl-2,1lambda5-benzoxaphosphole 1-oxide, 2,1-Benzoxaphosphole,1,3-dihydro-1-hydroxy-3,3-dimethyl-, 1-oxide, 1-Hydroxy-3,3-dimethyl-1,3-dihydro-2,1lambda~5~-benzoxaphosphol-1-one, RefChem:317420
| Molecular Formula | C9H11O3P |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.04459 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 71401-78-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2P(=O)(O1)O)C |
| InChIKey | HCEIHBNQRNTVMU-UHFFFAOYSA-N |
Product Overview
1-hydroxy-3,3-dimethyl-2,1 (CAS 71401-78-0), with molecular formula C9H11O3P and molecular weight 198.04 g/mol. IUPAC: 1-hydroxy-3,3-dimethyl-2,1λ5-benzoxaphosphole 1-oxide.
Chemical Property Profile of 1-hydroxy-3,3-dimethyl-2,1
Property Insights of 1-hydroxy-3,3-dimethyl-2,1
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-hydroxy-3,3-dimethyl-2,1. With a topological polar surface area (TPSA) of 46.5 Ų, 1-hydroxy-3,3-dimethyl-2,1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-hydroxy-3,3-dimethyl-2,1 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-hydroxy-3,3-dimethyl-2,1?
The CAS number of 1-hydroxy-3,3-dimethyl-2,1 is 71401-78-0.
What is the molecular formula of 1-hydroxy-3,3-dimethyl-2,1?
The molecular formula of 1-hydroxy-3,3-dimethyl-2,1 is C9H11O3P.
What is the molecular weight of 1-hydroxy-3,3-dimethyl-2,1?
The molecular weight of 1-hydroxy-3,3-dimethyl-2,1 is 198.04 g/mol.
Where can I buy 1-hydroxy-3,3-dimethyl-2,1?
You can request a quote for 1-hydroxy-3,3-dimethyl-2,1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hydroxy-3,3-dimethyl-2,1?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-3,3-dimethyl-2,1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.