RefChem:331741
TL;DR: RefChem:331741 (CAS 78533-69-4) is a chemical compound with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate
Also Known As: Carbamic acid, (1,4,5,6-tetrahydro-5-(3-methoxyphenyl)-2-pyrimidinyl)-, methyl ester, (1,4,5,6-Tetrahydro-5-(3-methoxyphenyl)-2-pyrimidinyl)carbamic acid methyl ester, 2-methoxycarbonylamino-5-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine, Methyl [5-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate, methyl N-[5-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate
| Molecular Formula | C13H17N3O3 |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.12698 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 78533-69-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2CNC(=NC2)NC(=O)OC |
| InChIKey | WZNAMFYCAMDMSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:331741 (CAS 78533-69-4), with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol. IUPAC: methyl N-[5-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate.
Chemical Property Profile of RefChem:331741
Property Insights of RefChem:331741
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331741. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331741. Following Lipinski's Rule of Five, RefChem:331741 has 2 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 RefChem:331741?
The CAS number of RefChem:331741 is 78533-69-4.
What is the molecular formula of RefChem:331741?
The molecular formula of RefChem:331741 is C13H17N3O3.
What is the molecular weight of RefChem:331741?
The molecular weight of RefChem:331741 is 263.13 g/mol.
Where can I buy RefChem:331741?
You can request a quote for RefChem:331741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331741?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.