1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate)
TL;DR: 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) (CAS 19189-02-7) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-3-propan-2-ylphenyl) N-methylcarbamate
Also Known As: Methylcarbamic acid 4-hydroxy-m-cumenyl ester, 3-Isopropyl-4-hydroxyphenyl methylcarbamate, CARBAMIC ACID, METHYL-, 4-HYDROXY-m-CUMENYL ESTER, (4-hydroxy-3-propan-2-ylphenyl) N-methylcarbamate, 4-Hydroxy-3-(propan-2-yl)phenyl methylcarbamate
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 19189-02-7 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)OC(=O)NC)O |
| InChIKey | IJGTUOFYNRWQMM-UHFFFAOYSA-N |
Product Overview
1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) (CAS 19189-02-7), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: (4-hydroxy-3-propan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate)
Property Insights of 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate). With a topological polar surface area (TPSA) of 58.6 Ų, 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) has 2 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 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate)?
The CAS number of 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) is 19189-02-7.
What is the molecular formula of 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate)?
The molecular formula of 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) is C11H15NO3.
What is the molecular weight of 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate)?
The molecular weight of 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) is 209.11 g/mol.
Where can I buy 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate)?
You can request a quote for 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2-(1-methylethyl)-, 4-(N-methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.