EINECS 249-602-7
TL;DR: EINECS 249-602-7 (CAS 29391-80-8) is a chemical compound with molecular formula C17H21Cl2N3O7 and molecular weight 449.07565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-morpholin-4-ylacetate
Also Known As: KST-1A3605, (2s,3r)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl morpholin-4-ylacetate, (R-(R*,R*))-2-((Dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl morpholine-4-acetate, [R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl morpholine-4-acetate, [(2S,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-morpholin-4-ylacetate
Technical Specifications
| Molecular Formula | C17H21Cl2N3O7 |
| Molecular Weight | 449.07565 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.07565 Da |
| Heavy Atoms | 29 |
| Complexity | 562.0 |
| SMILES | C1COCCN1CC(=O)OC[C@@H]([C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl |
| InChIKey | GTKMFTZKVBNTSR-DZGCQCFKSA-N |
Chemical Property Profile of EINECS 249-602-7
Property Insights of EINECS 249-602-7
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 249-602-7. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 249-602-7. Following Lipinski's Rule of Five, EINECS 249-602-7 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of EINECS 249-602-7?
The CAS number of EINECS 249-602-7 is 29391-80-8.
What is the molecular formula of EINECS 249-602-7?
The molecular formula of EINECS 249-602-7 is C17H21Cl2N3O7.
What is the molecular weight of EINECS 249-602-7?
The molecular weight of EINECS 249-602-7 is 449.07565 g/mol.
Where can I buy EINECS 249-602-7?
You can request a quote for EINECS 249-602-7 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 249-602-7?
Yes, CoreyChem provides custom synthesis services for EINECS 249-602-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.