methyl 4-(N-hydroxycarbamimidoyl)benzoate
TL;DR: methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS 950644-31-2) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(N'-hydroxycarbamimidoyl)benzoate
Also Known As: methyl 4-(N-hydroxycarbamimidoyl)benzoate, Pemafibrate sodium, 4-(carbomethoxy)benzamidoxime, methyl 4-(N'-hydroxycarbamimidoyl)benzoate, Methyl 4-[(Z)-amino(hydroxyimino)methyl]benzoate
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 0.5677 |
| Topological Polar Surface Area | 84.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 356.82474 |
Chemical Identifiers
| CAS Number | 950644-31-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=NO)N |
Product Overview
methyl 4-(N-hydroxycarbamimidoyl)benzoate (CAS 950644-31-2), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: methyl 4-(N'-hydroxycarbamimidoyl)benzoate.
Chemical Property Profile of methyl 4-(N-hydroxycarbamimidoyl)benzoate
Property Insights of methyl 4-(N-hydroxycarbamimidoyl)benzoate
The XLogP value of 0.5677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(N-hydroxycarbamimidoyl)benzoate. The TPSA of 84.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(N-hydroxycarbamimidoyl)benzoate. Following Lipinski's Rule of Five, methyl 4-(N-hydroxycarbamimidoyl)benzoate 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 methyl 4-(N-hydroxycarbamimidoyl)benzoate?
The CAS number of methyl 4-(N-hydroxycarbamimidoyl)benzoate is 950644-31-2.
What is the molecular formula of methyl 4-(N-hydroxycarbamimidoyl)benzoate?
The molecular formula of methyl 4-(N-hydroxycarbamimidoyl)benzoate is C9H10N2O3.
What is the molecular weight of methyl 4-(N-hydroxycarbamimidoyl)benzoate?
The molecular weight of methyl 4-(N-hydroxycarbamimidoyl)benzoate is 194.07 g/mol.
Where can I buy methyl 4-(N-hydroxycarbamimidoyl)benzoate?
You can request a quote for methyl 4-(N-hydroxycarbamimidoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(N-hydroxycarbamimidoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(N-hydroxycarbamimidoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.