(S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
TL;DR: (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 736948-88-2) is a chemical compound with molecular formula C22H24N4O6 and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl]-1,3-dimethylpyrimidine-2,4-dione
Also Known As: (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 6-amino-5-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl]-1,3-dimethylpyrimidine-2,4-dione
| Molecular Formula | C22H24N4O6 |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 1.6624 |
| Topological Polar Surface Area | 131.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.1696 |
| Heavy Atoms | 32 |
| Complexity | 1249.7563 |
Chemical Identifiers
| CAS Number | 736948-88-2 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)[C@@H](C[N+](=O)[O-])C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N |
Product Overview
(S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 736948-88-2), with molecular formula C22H24N4O6 and molecular weight 440.17 g/mol. IUPAC: 6-amino-5-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl]-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Property Insights of (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.6624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione. The TPSA of 131.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 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 (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The CAS number of (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is 736948-88-2.
What is the molecular formula of (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is C22H24N4O6.
What is the molecular weight of (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is 440.17 g/mol.
Where can I buy (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-Amino-5-(1-(4-(benzyloxy)-3-methoxyphenyl)-2-nitroethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.