TimTec1_004740
TL;DR: TimTec1_004740 (CAS 329698-62-6) is a chemical compound with molecular formula C12H21N3O3 and molecular weight 255.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(dimethylamino)-5-oxo-4-(propan-2-ylamino)-2H-pyrrole-3-carboxylate
Also Known As: TimTec1_004740, Ethyl 1-(dimethylamino)-2,5-dihydro-4-[(1-methylethyl)amino]-5-oxo-1H-pyrrole-3-carboxylate, ethyl 1-(dimethylamino)-5-oxo-4-(propan-2-ylamino)-2H-pyrrole-3-carboxylate, Ethyl 1-(dimethylamino)-5-oxo-4-[(propan-2-yl)amino]-2,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C12H21N3O3 |
|---|---|
| Molecular Weight | 255.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.1583 |
| Heavy Atoms | 18 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 329698-62-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)N(C1)N(C)C)NC(C)C |
| InChIKey | OITVLWXZZFBBBA-UHFFFAOYSA-N |
Product Overview
TimTec1_004740 (CAS 329698-62-6), with molecular formula C12H21N3O3 and molecular weight 255.16 g/mol. IUPAC: ethyl 1-(dimethylamino)-5-oxo-4-(propan-2-ylamino)-2H-pyrrole-3-carboxylate.
Chemical Property Profile of TimTec1_004740
Property Insights of TimTec1_004740
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_004740. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004740. Following Lipinski's Rule of Five, TimTec1_004740 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 TimTec1_004740?
The CAS number of TimTec1_004740 is 329698-62-6.
What is the molecular formula of TimTec1_004740?
The molecular formula of TimTec1_004740 is C12H21N3O3.
What is the molecular weight of TimTec1_004740?
The molecular weight of TimTec1_004740 is 255.16 g/mol.
Where can I buy TimTec1_004740?
You can request a quote for TimTec1_004740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004740?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.