3-Pyridinecarbamic acid, 3-pyridylmethyl ester
TL;DR: 3-Pyridinecarbamic acid, 3-pyridylmethyl ester (CAS 6507-73-9) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethyl N-pyridin-3-ylcarbamate
Also Known As: 3-Pyridylmethyl 3-pyridinecarbamate, 3-Pyridinecarbamic acid, 3-pyridylmethyl ester, 3-Pyridinecarbamicacid3-pyridylmethylester, pyridin-3-ylmethyl N-pyridin-3-ylcarbamate, 5-22-09-00030 (Beilstein Handbook Reference)
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 6507-73-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)COC(=O)NC2=CN=CC=C2 |
| InChIKey | UYQQTLCAFRGIGI-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarbamic acid, 3-pyridylmethyl ester (CAS 6507-73-9), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: pyridin-3-ylmethyl N-pyridin-3-ylcarbamate.
Chemical Property Profile of 3-Pyridinecarbamic acid, 3-pyridylmethyl ester
Property Insights of 3-Pyridinecarbamic acid, 3-pyridylmethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbamic acid, 3-pyridylmethyl ester. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarbamic acid, 3-pyridylmethyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarbamic acid, 3-pyridylmethyl ester 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 3-Pyridinecarbamic acid, 3-pyridylmethyl ester?
The CAS number of 3-Pyridinecarbamic acid, 3-pyridylmethyl ester is 6507-73-9.
What is the molecular formula of 3-Pyridinecarbamic acid, 3-pyridylmethyl ester?
The molecular formula of 3-Pyridinecarbamic acid, 3-pyridylmethyl ester is C12H11N3O2.
What is the molecular weight of 3-Pyridinecarbamic acid, 3-pyridylmethyl ester?
The molecular weight of 3-Pyridinecarbamic acid, 3-pyridylmethyl ester is 229.09 g/mol.
Where can I buy 3-Pyridinecarbamic acid, 3-pyridylmethyl ester?
You can request a quote for 3-Pyridinecarbamic acid, 3-pyridylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbamic acid, 3-pyridylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbamic acid, 3-pyridylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.