PK 130
TL;DR: PK 130 (CAS 140448-29-9) is a chemical compound with molecular formula C15H16N4O5 and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
PK 130
methyl (2S)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenylpropanoate
Also Known As: PK 130, methyl (2S)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenylpropanoate, L-Phenylalanine, N-((2-nitro-1H-imidazol-1-yl)acetyl)-, methyl ester, L-Phenylalanine, N-[(2-nitro-1H-imidazol-1-yl)acetyl]-, methyl ester (9CI), L-Phenylalanine,N-[(2-nitro-1H-imidazol-1-yl)acetyl]-, methyl ester (9CI)
| Molecular Formula | C15H16N4O5 |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.11206 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 140448-29-9 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C=CN=C2[N+](=O)[O-] |
| InChIKey | VQNUUFHSMPUSHU-LBPRGKRZSA-N |
Product Overview
PK 130 (CAS 140448-29-9), with molecular formula C15H16N4O5 and molecular weight 332.11 g/mol. IUPAC: methyl (2S)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenylpropanoate.
Chemical Property Profile of PK 130
Property Insights of PK 130
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PK 130. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PK 130. Following Lipinski's Rule of Five, PK 130 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 PK 130?
The CAS number of PK 130 is 140448-29-9.
What is the molecular formula of PK 130?
The molecular formula of PK 130 is C15H16N4O5.
What is the molecular weight of PK 130?
The molecular weight of PK 130 is 332.11 g/mol.
Where can I buy PK 130?
You can request a quote for PK 130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PK 130?
Yes, KEHONG BIO provides custom synthesis services for PK 130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.