RefChem:1083915
TL;DR: RefChem:1083915 (CAS 119858-72-9) is a chemical compound with molecular formula C20H23N3O5 and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(E)-3-(2,4-dimethoxy-6-methylpyrimidin-5-yl)prop-2-enoyl]amino]-3-phenylpropanoate
Also Known As: DL-Phenylalanine, N-(3-(2,4-dimethoxy-6-methyl-5-pyrimidinyl)-1-oxo-2-propenyl)-, methyl ester, (E)-, methyl (2S)-2-[[(E)-3-(2,4-dimethoxy-6-methylpyrimidin-5-yl)prop-2-enoyl]amino]-3-phenylpropanoate, RefChem:1083915, BRN 5646170
| Molecular Formula | C20H23N3O5 |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 1.71592 |
| Topological Polar Surface Area | 99.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.16376 |
| Heavy Atoms | 28 |
| Complexity | 852.4197 |
Chemical Identifiers
| CAS Number | 119858-72-9 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)OC)OC)/C=C/C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC |
Product Overview
RefChem:1083915 (CAS 119858-72-9), with molecular formula C20H23N3O5 and molecular weight 385.16 g/mol. IUPAC: methyl (2S)-2-[[(E)-3-(2,4-dimethoxy-6-methylpyrimidin-5-yl)prop-2-enoyl]amino]-3-phenylpropanoate.
Chemical Property Profile of RefChem:1083915
Property Insights of RefChem:1083915
The XLogP value of 1.71592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083915. The TPSA of 99.64 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083915. Following Lipinski's Rule of Five, RefChem:1083915 has 1 hydrogen bond donor(s) and 7 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:1083915?
The CAS number of RefChem:1083915 is 119858-72-9.
What is the molecular formula of RefChem:1083915?
The molecular formula of RefChem:1083915 is C20H23N3O5.
What is the molecular weight of RefChem:1083915?
The molecular weight of RefChem:1083915 is 385.16 g/mol.
Where can I buy RefChem:1083915?
You can request a quote for RefChem:1083915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083915?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.