rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid
TL;DR: rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid (CAS 64839-70-9) is a chemical compound with molecular formula C9H18N2O2S and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2R,3R,4S)-3,4-diaminothiolan-2-yl]pentanoic acid
Also Known As: ZERO/004694, J3.766.732C, AB00094969-01, 5-[(2R,3R,4S)-3,4-diaminothiolan-2-yl]pentanoic acid, rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid
| Molecular Formula | C9H18N2O2S |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 0.4014 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.1089 |
| Heavy Atoms | 14 |
| Complexity | 201.25098 |
Chemical Identifiers
| CAS Number | 64839-70-9 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@H](S1)CCCCC(=O)O)N)N |
Product Overview
rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid (CAS 64839-70-9), with molecular formula C9H18N2O2S and molecular weight 218.11 g/mol. IUPAC: 5-[(2R,3R,4S)-3,4-diaminothiolan-2-yl]pentanoic acid.
Chemical Property Profile of rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid
Property Insights of rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid
The XLogP value of 0.4014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid. Following Lipinski's Rule of Five, rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid has 3 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 rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid?
The CAS number of rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid is 64839-70-9.
What is the molecular formula of rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid?
The molecular formula of rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid is C9H18N2O2S.
What is the molecular weight of rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid?
The molecular weight of rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid is 218.11 g/mol.
Where can I buy rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid?
You can request a quote for rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for rel-5-((2R,3R,4S)-3,4-diaminotetrahydrothiophen-2-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.