1,3-Pentanediol, 2-nitro-, (R*,R*)-
TL;DR: 1,3-Pentanediol, 2-nitro-, (R*,R*)- (CAS 138668-25-4) is a chemical compound with molecular formula C5H11NO4 and molecular weight 149.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-nitropentane-1,3-diol
Also Known As: 1,3-Pentanediol, 2-nitro-, (R*,R*)-, (2R,3R)-2-nitropentane-1,3-diol, 1,2,4-Trideoxy-4-nitro-D-threo-pentitol, 1,3-Pentanediol, 2-nitro-, (R*,S*)-
| Molecular Formula | C5H11NO4 |
|---|---|
| Molecular Weight | 149.07 g/mol |
| LogP | -0.6051 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 149.0688 |
| Heavy Atoms | 10 |
| Complexity | 116.215576 |
Chemical Identifiers
| CAS Number | 138668-25-4 |
|---|---|
| SMILES | CC[C@H]([C@@H](CO)[N+](=O)[O-])O |
Product Overview
1,3-Pentanediol, 2-nitro-, (R*,R*)- (CAS 138668-25-4), with molecular formula C5H11NO4 and molecular weight 149.07 g/mol. IUPAC: (2R,3R)-2-nitropentane-1,3-diol.
Chemical Property Profile of 1,3-Pentanediol, 2-nitro-, (R*,R*)-
Property Insights of 1,3-Pentanediol, 2-nitro-, (R*,R*)-
The XLogP value of -0.6051 indicates that 1,3-Pentanediol, 2-nitro-, (R*,R*)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Pentanediol, 2-nitro-, (R*,R*)-. Following Lipinski's Rule of Five, 1,3-Pentanediol, 2-nitro-, (R*,R*)- has 2 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 1,3-Pentanediol, 2-nitro-, (R*,R*)-?
The CAS number of 1,3-Pentanediol, 2-nitro-, (R*,R*)- is 138668-25-4.
What is the molecular formula of 1,3-Pentanediol, 2-nitro-, (R*,R*)-?
The molecular formula of 1,3-Pentanediol, 2-nitro-, (R*,R*)- is C5H11NO4.
What is the molecular weight of 1,3-Pentanediol, 2-nitro-, (R*,R*)-?
The molecular weight of 1,3-Pentanediol, 2-nitro-, (R*,R*)- is 149.07 g/mol.
Where can I buy 1,3-Pentanediol, 2-nitro-, (R*,R*)-?
You can request a quote for 1,3-Pentanediol, 2-nitro-, (R*,R*)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Pentanediol, 2-nitro-, (R*,R*)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Pentanediol, 2-nitro-, (R*,R*)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.