CMPD167
TL;DR: CMPD167 (CAS 313994-79-5) is a chemical compound with molecular formula C35H47FN4O2 and molecular weight 574.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(1R,3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
Also Known As: CMPD167, MRK1, CMPD 167, CMPD-167 (HIV infection), Tox21_300223
| Molecular Formula | C35H47FN4O2 |
|---|---|
| Molecular Weight | 574.37 g/mol |
| LogP | 6.4157 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 574.3683 |
| Heavy Atoms | 42 |
| Complexity | 1317.5348 |
Chemical Identifiers
| CAS Number | 313994-79-5 |
|---|---|
| SMILES | CCN1C(=CC(=N1)CC2=CC=CC=C2)C3CCN(CC3)C[C@H]4C[C@@H](C[C@@H]4C5=CC(=CC=C5)F)N(C)[C@H](C(C)C)C(=O)O |
Product Overview
CMPD167 (CAS 313994-79-5), with molecular formula C35H47FN4O2 and molecular weight 574.37 g/mol. IUPAC: (2R)-2-[[(1R,3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid.
Chemical Property Profile of CMPD167
Property Insights of CMPD167
The XLogP value of 6.4157 indicates that CMPD167 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CMPD167. Following Lipinski's Rule of Five, CMPD167 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CMPD167?
The CAS number of CMPD167 is 313994-79-5.
What is the molecular formula of CMPD167?
The molecular formula of CMPD167 is C35H47FN4O2.
What is the molecular weight of CMPD167?
The molecular weight of CMPD167 is 574.37 g/mol.
Where can I buy CMPD167?
You can request a quote for CMPD167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CMPD167?
Yes, KEHONG BIO provides custom synthesis services for CMPD167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.