1r1h
TL;DR: 1r1h (CAS 216097-44-8) is a chemical compound with molecular formula C21H27N2O5P and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
Also Known As: 1r1h, PL265 active metabolite, PL-265 active metabolite, compound 1a [PMID: 25692029], J1.314.917H
| Molecular Formula | C21H27N2O5P |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 2.6767 |
| Topological Polar Surface Area | 129.72 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 418.16577 |
| Heavy Atoms | 29 |
| Complexity | 883.7043 |
Chemical Identifiers
| CAS Number | 216097-44-8 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)CP(=O)([C@H](C)N)O |
Product Overview
1r1h (CAS 216097-44-8), with molecular formula C21H27N2O5P and molecular weight 418.17 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid.
Chemical Property Profile of 1r1h
Property Insights of 1r1h
The XLogP value of 2.6767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1r1h. The TPSA of 129.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1r1h. Following Lipinski's Rule of Five, 1r1h has 4 hydrogen bond donor(s) and 4 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 1r1h?
The CAS number of 1r1h is 216097-44-8.
What is the molecular formula of 1r1h?
The molecular formula of 1r1h is C21H27N2O5P.
What is the molecular weight of 1r1h?
The molecular weight of 1r1h is 418.17 g/mol.
Where can I buy 1r1h?
You can request a quote for 1r1h directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1r1h?
Yes, KEHONG BIO provides custom synthesis services for 1r1h and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.