Preclathridine A
TL;DR: Preclathridine A (CAS 290353-69-4) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-amine
Also Known As: Preclathridine A, 4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-amine, 4-(benzo[1,3]dioxol-5-ylmethyl)-1-methyl-imidazol-2-amine, 1-Methyl-2-amino-4-(1,3-benzodioxole-5-ylmethyl)-1H-imidazole, 1-Methyl-4-[(1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-amine
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.3218 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 543.37354 |
Chemical Identifiers
| CAS Number | 290353-69-4 |
|---|---|
| SMILES | CN1C=C(N=C1N)CC2=CC3=C(C=C2)OCO3 |
Product Overview
Preclathridine A (CAS 290353-69-4), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-amine.
Chemical Property Profile of Preclathridine A
Property Insights of Preclathridine A
The XLogP value of 1.3218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Preclathridine A. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Preclathridine A. Following Lipinski's Rule of Five, Preclathridine A has 1 hydrogen bond donor(s) and 4 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 Preclathridine A?
The CAS number of Preclathridine A is 290353-69-4.
What is the molecular formula of Preclathridine A?
The molecular formula of Preclathridine A is C12H13N3O2.
What is the molecular weight of Preclathridine A?
The molecular weight of Preclathridine A is 231.10 g/mol.
Where can I buy Preclathridine A?
You can request a quote for Preclathridine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Preclathridine A?
Yes, KEHONG BIO provides custom synthesis services for Preclathridine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.