BRD-K52842279-001-01-9
TL;DR: BRD-K52842279-001-01-9 (CAS 1173675-30-3) is a chemical compound with molecular formula C13H23N3O3S2 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]carbamate
Also Known As: BRD-K52842279-001-01-9, (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate, tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]carbamate
| Molecular Formula | C13H23N3O3S2 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 3.5005 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.11807 |
| Heavy Atoms | 21 |
| Complexity | 446.11505 |
Chemical Identifiers
| CAS Number | 1173675-30-3 |
|---|---|
| SMILES | CCSC1=NN=C(O1)[C@H](CCSC)NC(=O)OC(C)(C)C |
Product Overview
BRD-K52842279-001-01-9 (CAS 1173675-30-3), with molecular formula C13H23N3O3S2 and molecular weight 333.12 g/mol. IUPAC: tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylpropyl]carbamate.
Chemical Property Profile of BRD-K52842279-001-01-9
Property Insights of BRD-K52842279-001-01-9
The XLogP value of 3.5005 indicates that BRD-K52842279-001-01-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K52842279-001-01-9. Following Lipinski's Rule of Five, BRD-K52842279-001-01-9 has 1 hydrogen bond donor(s) and 7 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 BRD-K52842279-001-01-9?
The CAS number of BRD-K52842279-001-01-9 is 1173675-30-3.
What is the molecular formula of BRD-K52842279-001-01-9?
The molecular formula of BRD-K52842279-001-01-9 is C13H23N3O3S2.
What is the molecular weight of BRD-K52842279-001-01-9?
The molecular weight of BRD-K52842279-001-01-9 is 333.12 g/mol.
Where can I buy BRD-K52842279-001-01-9?
You can request a quote for BRD-K52842279-001-01-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K52842279-001-01-9?
Yes, KEHONG BIO provides custom synthesis services for BRD-K52842279-001-01-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.