CID 121989
TL;DR: CID 121989 (CAS 35891-70-4) is a chemical compound with molecular formula C21H39NO6 and molecular weight 401.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
Also Known As: Myriocin
| Molecular Formula | C21H39NO6 |
|---|---|
| Molecular Weight | 401.28 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 401.27774 |
| Heavy Atoms | 28 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 35891-70-4 |
|---|---|
| SMILES | CCCCCCC(=O)CCCCCCC=CC[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O |
| InChIKey | ZZIKIHCNFWXKDY-DYXWJJEUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 121989 (CAS 35891-70-4), with molecular formula C21H39NO6 and molecular weight 401.28 g/mol. IUPAC: (2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid.
Chemical Property Profile of CID 121989
Property Insights of CID 121989
The XLogP value of -0.1 indicates that CID 121989 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting CID 121989 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 121989 has 5 hydrogen bond donor(s) and 7 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 CID 121989?
The CAS number of CID 121989 is 35891-70-4.
What is the molecular formula of CID 121989?
The molecular formula of CID 121989 is C21H39NO6.
What is the molecular weight of CID 121989?
The molecular weight of CID 121989 is 401.28 g/mol.
Where can I buy CID 121989?
You can request a quote for CID 121989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 121989?
Yes, KEHONG BIO provides custom synthesis services for CID 121989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.