EINECS 259-162-8
TL;DR: EINECS 259-162-8 (CAS 54436-08-7) is a chemical compound with molecular formula C19H25N3O4 and molecular weight 359.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-methyl-2-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate
Also Known As: Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, methyl ester, Methyl 1,2,3,7-tetrahydro-8-methyl-2-(2-morpholinoethyl)pyrrolo(3.2-f)(1,3)benzoxazine-9-carboxylate, methyl 8-methyl-2-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate, methyl1,2,3,7-tetrahydro-8-methyl-2- pyrrolo[3.2-f][1,3]benzoxazine-9-carboxylate, 1,2,3,7-Tetrahydro-8-methyl-2-(2-morpholinoethyl)pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylic acid methyl ester
| Molecular Formula | C19H25N3O4 |
|---|---|
| Molecular Weight | 359.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1845 |
| Heavy Atoms | 26 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 54436-08-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC3=C2CN(CO3)CCN4CCOCC4)C(=O)OC |
| InChIKey | ZCIBOLOZGULXSR-UHFFFAOYSA-N |
Product Overview
EINECS 259-162-8 (CAS 54436-08-7), with molecular formula C19H25N3O4 and molecular weight 359.18 g/mol. IUPAC: methyl 8-methyl-2-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate.
Chemical Property Profile of EINECS 259-162-8
Property Insights of EINECS 259-162-8
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 259-162-8. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-162-8. Following Lipinski's Rule of Five, EINECS 259-162-8 has 1 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 EINECS 259-162-8?
The CAS number of EINECS 259-162-8 is 54436-08-7.
What is the molecular formula of EINECS 259-162-8?
The molecular formula of EINECS 259-162-8 is C19H25N3O4.
What is the molecular weight of EINECS 259-162-8?
The molecular weight of EINECS 259-162-8 is 359.18 g/mol.
Where can I buy EINECS 259-162-8?
You can request a quote for EINECS 259-162-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-162-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-162-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.