西戈斯韦
TL;DR: 西戈斯韦 (CAS 121104-96-9) is a chemical compound with molecular formula C12H21NO5 and molecular weight 259.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西戈斯韦
[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate
Also Known As: Celgosivir, BuCast, celgosivirum, Celgosivir [INN], 6-O-Butanoylcastanospermine
| Molecular Formula | C12H21NO5 |
|---|---|
| Molecular Weight | 259.14 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.14197 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 121104-96-9 |
|---|---|
| SMILES | CCCC(=O)O[C@H]1CN2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O |
| InChIKey | HTJGLYIJVSDQAE-VWNXEWBOSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西戈斯韦 (CAS 121104-96-9), with molecular formula C12H21NO5 and molecular weight 259.14 g/mol. IUPAC: [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate.
Chemical Property Profile of 西戈斯韦
Property Insights of 西戈斯韦
The XLogP value of -0.8 indicates that 西戈斯韦 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 西戈斯韦. Following Lipinski's Rule of Five, 西戈斯韦 has 3 hydrogen bond donor(s) and 6 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 西戈斯韦?
The CAS number of 西戈斯韦 is 121104-96-9.
What is the molecular formula of 西戈斯韦?
The molecular formula of 西戈斯韦 is C12H21NO5.
What is the molecular weight of 西戈斯韦?
The molecular weight of 西戈斯韦 is 259.14 g/mol.
Where can I buy 西戈斯韦?
You can request a quote for 西戈斯韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西戈斯韦?
Yes, KEHONG BIO provides custom synthesis services for 西戈斯韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.