CAS# 80666-77-9
TL;DR: CAS# 80666-77-9 (CAS 80666-79-1) is a chemical compound with molecular formula C21H31N7O12S2 and molecular weight 637.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[6-[[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioylamino]carbamoyl]pyridine-2-carbonyl]amino]thiourea
Also Known As: CAS# 80666-77-9, 2,6-Pyridinedicarboxylic acid, bis(2-((beta-D-glucopyranosylamino)thioxomethyl)hydrazide), 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[6-[[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioylamino]carbamoyl]pyridine-2-carbonyl]amino]thiourea, 1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-3-[[6-[[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]carbamothioylamino]carbamoyl]pyridine-2-carbonyl]amino]thiourea
| Molecular Formula | C21H31N7O12S2 |
|---|---|
| Molecular Weight | 637.15 g/mol |
| LogP | -7.1008 |
| Topological Polar Surface Area | 299.51 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 637.1472 |
| Heavy Atoms | 42 |
| Complexity | 1053.5818 |
Chemical Identifiers
| CAS Number | 80666-79-1 |
|---|---|
| SMILES | C1=CC(=NC(=C1)C(=O)NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)C(=O)NNC(=S)NC3C(C(C(C(O3)CO)O)O)O |
Product Overview
CAS# 80666-77-9 (CAS 80666-79-1), with molecular formula C21H31N7O12S2 and molecular weight 637.15 g/mol. IUPAC: 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[6-[[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioylamino]carbamoyl]pyridine-2-carbonyl]amino]thiourea.
Chemical Property Profile of CAS# 80666-77-9
Property Insights of CAS# 80666-77-9
The XLogP value of -7.1008 indicates that CAS# 80666-77-9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 299.51 Ų indicates high polarity, suggesting CAS# 80666-77-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CAS# 80666-77-9 has 14 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS# 80666-77-9?
The CAS number of CAS# 80666-77-9 is 80666-79-1.
What is the molecular formula of CAS# 80666-77-9?
The molecular formula of CAS# 80666-77-9 is C21H31N7O12S2.
What is the molecular weight of CAS# 80666-77-9?
The molecular weight of CAS# 80666-77-9 is 637.15 g/mol.
Where can I buy CAS# 80666-77-9?
You can request a quote for CAS# 80666-77-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS# 80666-77-9?
Yes, KEHONG BIO provides custom synthesis services for CAS# 80666-77-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.