Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate
TL;DR: Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate (CAS 159878-02-1) is a chemical compound with molecular formula C18H20ClNO3S and molecular weight 365.08524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2R,3S)-4-chloro-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate
Also Known As: Chloroalcohol, Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate, 3480AH, (2S,3R)-3-CARBOBENZYLOXYAMINO-1-CHLORO-4-PHENYLTHIO-BUTAN-2-OL, (2S,3R)-N-cbz-3-Amino-1-chloro-4-(phenylthio)butan-2-ol
Technical Specifications
| Molecular Formula | C18H20ClNO3S |
| Molecular Weight | 365.08524 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 365.08524 Da |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CCl)O |
| InChIKey | YMCLVAZUQJPLTE-DLBZAZTESA-N |
Chemical Property Profile of Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate
Property Insights of Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate
The XLogP value of 3.7 indicates that Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate. Following Lipinski's Rule of Five, Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate 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
What is the CAS number of Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate?
The CAS number of Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate is 159878-02-1.
What is the molecular formula of Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate?
The molecular formula of Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate is C18H20ClNO3S.
What is the molecular weight of Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate?
The molecular weight of Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate is 365.08524 g/mol.
Where can I buy Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate?
You can request a quote for Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.