Cinodine II
TL;DR: Cinodine II (CAS 60830-75-3) is a chemical compound with molecular formula C37H59N13O13 and molecular weight 893.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[[3-(carbamoylamino)-5-[[7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enamide
Also Known As: Cinodine II, (E)-N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[[3-(carbamoylamino)-5-[[5-(carbamoylamino)-8-oxo-3,9-dioxa-7-azabicyclo[4.3.0]non-4-yl]oxy]-4-hydroxy-oxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyl-oxan-2-yl]oxyphenyl]prop-2-enamide
| Molecular Formula | C37H59N13O13 |
|---|---|
| Molecular Weight | 893.44 g/mol |
| LogP | -4.6616 |
| Topological Polar Surface Area | 407.86 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Exact Mass | 893.43555 |
| Heavy Atoms | 63 |
| Complexity | 1774.3027 |
Chemical Identifiers
| CAS Number | 60830-75-3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)NCCCNCCCCN)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)OC4C(C5C(CO4)OC(=O)N5)NC(=O)N)O)NC(=O)N |
Product Overview
Cinodine II (CAS 60830-75-3), with molecular formula C37H59N13O13 and molecular weight 893.44 g/mol. IUPAC: N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[[3-(carbamoylamino)-5-[[7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enamide.
Chemical Property Profile of Cinodine II
Property Insights of Cinodine II
The XLogP value of -4.6616 indicates that Cinodine II is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 407.86 Ų indicates high polarity, suggesting Cinodine II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cinodine II has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cinodine II?
The CAS number of Cinodine II is 60830-75-3.
What is the molecular formula of Cinodine II?
The molecular formula of Cinodine II is C37H59N13O13.
What is the molecular weight of Cinodine II?
The molecular weight of Cinodine II is 893.44 g/mol.
Where can I buy Cinodine II?
You can request a quote for Cinodine II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinodine II?
Yes, KEHONG BIO provides custom synthesis services for Cinodine II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.