ChemDiv1_027593
TL;DR: ChemDiv1_027593 (CAS 312267-69-9) is a chemical compound with molecular formula C11H15N7O3 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate
Also Known As: ChemDiv1_027593, ZERO/001975, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C11H15N7O3 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.12363 |
| Heavy Atoms | 21 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 312267-69-9 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCC3 |
| InChIKey | UOJAMYQSEZOBLH-UHFFFAOYSA-N |
Product Overview
ChemDiv1_027593 (CAS 312267-69-9), with molecular formula C11H15N7O3 and molecular weight 293.12 g/mol. IUPAC: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate.
Chemical Property Profile of ChemDiv1_027593
Property Insights of ChemDiv1_027593
The XLogP value of -0.3 indicates that ChemDiv1_027593 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027593. Following Lipinski's Rule of Five, ChemDiv1_027593 has 1 hydrogen bond donor(s) and 9 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 ChemDiv1_027593?
The CAS number of ChemDiv1_027593 is 312267-69-9.
What is the molecular formula of ChemDiv1_027593?
The molecular formula of ChemDiv1_027593 is C11H15N7O3.
What is the molecular weight of ChemDiv1_027593?
The molecular weight of ChemDiv1_027593 is 293.12 g/mol.
Where can I buy ChemDiv1_027593?
You can request a quote for ChemDiv1_027593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027593?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.