1R-0100
TL;DR: 1R-0100 (CAS 1397005-11-6) is a chemical compound with molecular formula C14H16ClF3N2O4S and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: 1R-0100, 2-[(tert-butoxycarbonyl)amino]-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}propanoic acid, 2-{[(tert-butoxy)carbonyl]amino}-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}propanoic acid, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
| Molecular Formula | C14H16ClF3N2O4S |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 3.8238 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.04715 |
| Heavy Atoms | 25 |
| Complexity | 649.9445 |
Chemical Identifiers
| CAS Number | 1397005-11-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)O |
Product Overview
1R-0100 (CAS 1397005-11-6), with molecular formula C14H16ClF3N2O4S and molecular weight 400.05 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 1R-0100
Property Insights of 1R-0100
The XLogP value of 3.8238 indicates that 1R-0100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1R-0100. Following Lipinski's Rule of Five, 1R-0100 has 2 hydrogen bond donor(s) and 5 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 1R-0100?
The CAS number of 1R-0100 is 1397005-11-6.
What is the molecular formula of 1R-0100?
The molecular formula of 1R-0100 is C14H16ClF3N2O4S.
What is the molecular weight of 1R-0100?
The molecular weight of 1R-0100 is 400.05 g/mol.
Where can I buy 1R-0100?
You can request a quote for 1R-0100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1R-0100?
Yes, KEHONG BIO provides custom synthesis services for 1R-0100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.