Phenylethylthio-beta-galactopyranoside
TL;DR: Phenylethylthio-beta-galactopyranoside (CAS 63407-31-8) is a chemical compound with molecular formula C17H24N2O4 and molecular weight 320.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,9S)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Phenylethylthio-beta-galactopyranoside, 3-O-Butyl-10,11-dihydroneothramycin A, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,10,11,11a-hexahydro-8-hydroxy-7-methoxy-, (3S-trans)-, 3-Butoxy-1,2,3,10,11,11a-hexahydro-8-hydroxy-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (3S-trans)-, (3S,11aS)-3-Butoxy-8-hydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
| Molecular Formula | C17H24N2O4 |
|---|---|
| Molecular Weight | 320.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.1736 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 63407-31-8 |
|---|---|
| SMILES | CCCCO[C@H]1CC[C@@H]2N1C(=O)C3=CC(=C(C=C3NC2)O)OC |
| InChIKey | PBZWYWPOPYVQMF-ZBEGNZNMSA-N |
Product Overview
Phenylethylthio-beta-galactopyranoside (CAS 63407-31-8), with molecular formula C17H24N2O4 and molecular weight 320.17 g/mol. IUPAC: (6aS,9S)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of Phenylethylthio-beta-galactopyranoside
Property Insights of Phenylethylthio-beta-galactopyranoside
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylethylthio-beta-galactopyranoside. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylethylthio-beta-galactopyranoside. Following Lipinski's Rule of Five, Phenylethylthio-beta-galactopyranoside 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 Phenylethylthio-beta-galactopyranoside?
The CAS number of Phenylethylthio-beta-galactopyranoside is 63407-31-8.
What is the molecular formula of Phenylethylthio-beta-galactopyranoside?
The molecular formula of Phenylethylthio-beta-galactopyranoside is C17H24N2O4.
What is the molecular weight of Phenylethylthio-beta-galactopyranoside?
The molecular weight of Phenylethylthio-beta-galactopyranoside is 320.17 g/mol.
Where can I buy Phenylethylthio-beta-galactopyranoside?
You can request a quote for Phenylethylthio-beta-galactopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylethylthio-beta-galactopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Phenylethylthio-beta-galactopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.