3,4-双(二甲氨基甲酰氧基)苄醇
TL;DR: 3,4-双(二甲氨基甲酰氧基)苄醇 (CAS 63991-35-5) is a chemical compound with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-双(二甲氨基甲酰氧基)苄醇
[2-(dimethylcarbamoyloxy)-4-(hydroxymethyl)phenyl] N,N-dimethylcarbamate
Also Known As: BENZYL ALCOHOL, 3,4-BIS(DIMETHYLCARBAMYLOXY)-, 3,4-Bis(N,N-dimethylcarbamoyloxy)benzyl alcohol, 1-(4-butylphenyl)-2-piperidin-1-ylethanol, 2-(4-butylphenyl)-1-piperidin-1-ylpropan-2-ol, 3,4-BIS(DIMETHYLCARBAMYLOXY)BENZYL ALCOHOL
| Molecular Formula | C13H18N2O5 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.12158 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 63991-35-5 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(C=C(C=C1)CO)OC(=O)N(C)C |
| InChIKey | UOUMIWURLSNKSG-UHFFFAOYSA-N |
Product Overview
3,4-双(二甲氨基甲酰氧基)苄醇 (CAS 63991-35-5), with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol. IUPAC: [2-(dimethylcarbamoyloxy)-4-(hydroxymethyl)phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of 3,4-双(二甲氨基甲酰氧基)苄醇
Property Insights of 3,4-双(二甲氨基甲酰氧基)苄醇
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-双(二甲氨基甲酰氧基)苄醇. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-双(二甲氨基甲酰氧基)苄醇. Following Lipinski's Rule of Five, 3,4-双(二甲氨基甲酰氧基)苄醇 has 1 hydrogen bond donor(s) and 5 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 3,4-双(二甲氨基甲酰氧基)苄醇?
The CAS number of 3,4-双(二甲氨基甲酰氧基)苄醇 is 63991-35-5.
What is the molecular formula of 3,4-双(二甲氨基甲酰氧基)苄醇?
The molecular formula of 3,4-双(二甲氨基甲酰氧基)苄醇 is C13H18N2O5.
What is the molecular weight of 3,4-双(二甲氨基甲酰氧基)苄醇?
The molecular weight of 3,4-双(二甲氨基甲酰氧基)苄醇 is 282.12 g/mol.
Where can I buy 3,4-双(二甲氨基甲酰氧基)苄醇?
You can request a quote for 3,4-双(二甲氨基甲酰氧基)苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-双(二甲氨基甲酰氧基)苄醇?
Yes, KEHONG BIO provides custom synthesis services for 3,4-双(二甲氨基甲酰氧基)苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.