4-Aminophenylb-D-thiocellobiose
TL;DR: 4-Aminophenylb-D-thiocellobiose (CAS 68636-49-7) is a chemical compound with molecular formula C18H27NO10S and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(4-aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 4-Aminophenylb-D-thiocellobiose, 4-Aminophenyl 1-Thio-b-D-cellobioside, 4-Aminophenyl 1-Thio-%7CA-D-cellobioside, 4-AMINOPHENYL 1-THIO- section sign-D-CELLOBIOSIDE, (2S,4S,5S)-2-[(3S,4R,6S)-6-(4-aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C18H27NO10S |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | -3.015 |
| Topological Polar Surface Area | 195.32 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.13556 |
| Heavy Atoms | 30 |
| Complexity | 677.43585 |
Chemical Identifiers
| CAS Number | 68636-49-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O |
Product Overview
4-Aminophenylb-D-thiocellobiose (CAS 68636-49-7), with molecular formula C18H27NO10S and molecular weight 449.14 g/mol. IUPAC: 2-[6-(4-aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 4-Aminophenylb-D-thiocellobiose
Property Insights of 4-Aminophenylb-D-thiocellobiose
The XLogP value of -3.015 indicates that 4-Aminophenylb-D-thiocellobiose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.32 Ų indicates high polarity, suggesting 4-Aminophenylb-D-thiocellobiose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Aminophenylb-D-thiocellobiose has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Aminophenylb-D-thiocellobiose?
The CAS number of 4-Aminophenylb-D-thiocellobiose is 68636-49-7.
What is the molecular formula of 4-Aminophenylb-D-thiocellobiose?
The molecular formula of 4-Aminophenylb-D-thiocellobiose is C18H27NO10S.
What is the molecular weight of 4-Aminophenylb-D-thiocellobiose?
The molecular weight of 4-Aminophenylb-D-thiocellobiose is 449.14 g/mol.
Where can I buy 4-Aminophenylb-D-thiocellobiose?
You can request a quote for 4-Aminophenylb-D-thiocellobiose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminophenylb-D-thiocellobiose?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminophenylb-D-thiocellobiose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.