Cinodine
TL;DR: Cinodine (CAS 52932-64-6) is a chemical compound with molecular formula C37H60ClN13O13 and molecular weight 929.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3aS,6S,7R,7aR)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]-N-[3-(4-aminobutylamino)propyl]prop-2-enamide;hydrochloride
Also Known As: Cinodine, Antibiotic BM 123gamma, BM 123 gamma, LL-BM 123 gamma, Antibiotic BM 123 gamma
| Molecular Formula | C37H60ClN13O13 |
|---|---|
| Molecular Weight | 929.41 g/mol |
| LogP | -4.2398 |
| Topological Polar Surface Area | 407.86 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Exact Mass | 929.41223 |
| Heavy Atoms | 64 |
| Complexity | 1781.7341 |
Chemical Identifiers
| CAS Number | 52932-64-6 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCN)N=C(N)N)O)NC(=O)N[C@@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@@H]5[C@@H](CO4)OC(=O)N5)NC(=O)N)O)NC(=O)N.Cl |
Product Overview
Cinodine (CAS 52932-64-6), with molecular formula C37H60ClN13O13 and molecular weight 929.41 g/mol. IUPAC: (E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3aS,6S,7R,7aR)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]-N-[3-(4-aminobutylamino)propyl]prop-2-enamide;hydrochloride.
Chemical Property Profile of Cinodine
Property Insights of Cinodine
The XLogP value of -4.2398 indicates that Cinodine 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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cinodine 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?
The CAS number of Cinodine is 52932-64-6.
What is the molecular formula of Cinodine?
The molecular formula of Cinodine is C37H60ClN13O13.
What is the molecular weight of Cinodine?
The molecular weight of Cinodine is 929.41 g/mol.
Where can I buy Cinodine?
You can request a quote for Cinodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinodine?
Yes, KEHONG BIO provides custom synthesis services for Cinodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.