RefChem:328927
TL;DR: RefChem:328927 (CAS 15499-09-9) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate
Also Known As: N-(2-Troponyl)-beta-alanine beta-dimethylaminoethyl ester, N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)-beta-alanine 2-(dimethylamino)ethyl ester, beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(dimethylamino)ethyl ester, 2-(dimethylamino)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate, 2-dimethylaminoethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 15499-09-9 |
|---|---|
| SMILES | CN(C)CCOC(=O)CCNC1=CC=CC=CC1=O |
| InChIKey | ZCALLRJEILXULN-UHFFFAOYSA-N |
Product Overview
RefChem:328927 (CAS 15499-09-9), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: 2-(dimethylamino)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate.
Chemical Property Profile of RefChem:328927
Property Insights of RefChem:328927
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328927. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:328927 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:328927 has 1 hydrogen bond donor(s) and 5 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:328927?
The CAS number of RefChem:328927 is 15499-09-9.
What is the molecular formula of RefChem:328927?
The molecular formula of RefChem:328927 is C14H20N2O3.
What is the molecular weight of RefChem:328927?
The molecular weight of RefChem:328927 is 264.15 g/mol.
Where can I buy RefChem:328927?
You can request a quote for RefChem:328927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328927?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.