α-(环氧乙基)对甲氧基苄醇
TL;DR: α-(环氧乙基)对甲氧基苄醇 (CAS 70771-71-0) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-(环氧乙基)对甲氧基苄醇
(4-methoxyphenyl)-(oxiran-2-yl)methanol
Also Known As: 1'-Hydroxy-estragole-2',3'-oxide, alpha-(Epoxyethyl)-p-methoxybenzyl alcohol, (4-methoxyphenyl)-(oxiran-2-yl)methanol, alpha-Oxiranyl-p-methoxybenzyl alcohol, (4-METHOXYPHENYL)(OXIRAN-2-YL)METHANOL
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 70771-71-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2CO2)O |
| InChIKey | NQRRYLLAQLTROY-UHFFFAOYSA-N |
Product Overview
α-(环氧乙基)对甲氧基苄醇 (CAS 70771-71-0), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: (4-methoxyphenyl)-(oxiran-2-yl)methanol.
Chemical Property Profile of α-(环氧乙基)对甲氧基苄醇
Property Insights of α-(环氧乙基)对甲氧基苄醇
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-(环氧乙基)对甲氧基苄醇. With a topological polar surface area (TPSA) of 42.0 Ų, α-(环氧乙基)对甲氧基苄醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-(环氧乙基)对甲氧基苄醇 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 α-(环氧乙基)对甲氧基苄醇?
The CAS number of α-(环氧乙基)对甲氧基苄醇 is 70771-71-0.
What is the molecular formula of α-(环氧乙基)对甲氧基苄醇?
The molecular formula of α-(环氧乙基)对甲氧基苄醇 is C10H12O3.
What is the molecular weight of α-(环氧乙基)对甲氧基苄醇?
The molecular weight of α-(环氧乙基)对甲氧基苄醇 is 180.08 g/mol.
Where can I buy α-(环氧乙基)对甲氧基苄醇?
You can request a quote for α-(环氧乙基)对甲氧基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-(环氧乙基)对甲氧基苄醇?
Yes, KEHONG BIO provides custom synthesis services for α-(环氧乙基)对甲氧基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.