3-N-Dodecylaminopropan-1-ol
TL;DR: 3-N-Dodecylaminopropan-1-ol (CAS 52872-49-8) is a chemical compound with molecular formula C12H10N4O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-hydroxyphenyl)-5-methylpyrimidin-2-yl]cyanamide
Also Known As: 3-N-Dodecylaminopropan-1-ol, [4-(2-hydroxy-phenyl)-5-methyl-pyrimidin-2-yl]-cyanamide, [4-(2-Hydroxyphenyl)-5-methylpyrimidin-2-yl]cyanamide, [5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]cyanamide, [5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin
| Molecular Formula | C12H10N4O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08546 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 52872-49-8 |
|---|---|
| SMILES | CC1=CN=C(N=C1C2=CC=CC=C2O)NC#N |
| InChIKey | PRCHSCSZPKLVFS-UHFFFAOYSA-N |
Product Overview
3-N-Dodecylaminopropan-1-ol (CAS 52872-49-8), with molecular formula C12H10N4O and molecular weight 226.09 g/mol. IUPAC: [4-(2-hydroxyphenyl)-5-methylpyrimidin-2-yl]cyanamide.
Chemical Property Profile of 3-N-Dodecylaminopropan-1-ol
Property Insights of 3-N-Dodecylaminopropan-1-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-N-Dodecylaminopropan-1-ol. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-N-Dodecylaminopropan-1-ol. Following Lipinski's Rule of Five, 3-N-Dodecylaminopropan-1-ol has 2 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-N-Dodecylaminopropan-1-ol?
The CAS number of 3-N-Dodecylaminopropan-1-ol is 52872-49-8.
What is the molecular formula of 3-N-Dodecylaminopropan-1-ol?
The molecular formula of 3-N-Dodecylaminopropan-1-ol is C12H10N4O.
What is the molecular weight of 3-N-Dodecylaminopropan-1-ol?
The molecular weight of 3-N-Dodecylaminopropan-1-ol is 226.09 g/mol.
Where can I buy 3-N-Dodecylaminopropan-1-ol?
You can request a quote for 3-N-Dodecylaminopropan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-N-Dodecylaminopropan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-N-Dodecylaminopropan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.