ChemDiv2_002732
TL;DR: ChemDiv2_002732 (CAS 378757-98-3) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 2-amino-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
Also Known As: ChemDiv2_002732, A3247/0137935, 2-hydroxyethyl 2-amino-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate, 2-hydroxyethyl 2-amino-3-cyano-5,6,7-trihydrocyclopenta[2,1-b]pyridine-4-carbo xylate, 2-HYDROXYETHYL 2-AMINO-3-CYANO-5H,6H,7H-CYCLOPENTA[B]PYRIDINE-4-CARBOXYLATE
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 0.17328 |
| Topological Polar Surface Area | 109.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 533.5997 |
Chemical Identifiers
| CAS Number | 378757-98-3 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C(=O)OCCO)C#N)N |
Product Overview
ChemDiv2_002732 (CAS 378757-98-3), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 2-hydroxyethyl 2-amino-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate.
Chemical Property Profile of ChemDiv2_002732
Property Insights of ChemDiv2_002732
The XLogP value of 0.17328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_002732. The TPSA of 109.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002732. Following Lipinski's Rule of Five, ChemDiv2_002732 has 2 hydrogen bond donor(s) and 6 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 ChemDiv2_002732?
The CAS number of ChemDiv2_002732 is 378757-98-3.
What is the molecular formula of ChemDiv2_002732?
The molecular formula of ChemDiv2_002732 is C12H13N3O3.
What is the molecular weight of ChemDiv2_002732?
The molecular weight of ChemDiv2_002732 is 247.10 g/mol.
Where can I buy ChemDiv2_002732?
You can request a quote for ChemDiv2_002732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002732?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.