Iprocinodine II
TL;DR: Iprocinodine II (CAS 60830-80-0) is a chemical compound with molecular formula C40H65N13O13 and molecular weight 935.48 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-(propan-2-ylamino)butylamino]propyl]prop-2-enamide
Also Known As: Iprocinodine II, NIOSH/CB9442000, LL-BM123 gamma, N-Isopropyl-, Antibiotic BM-123gamma2, 1-(1-methylethyl)-, Antibiotic LL-BM123 gamma, N-isopropyl-
| Molecular Formula | C40H65N13O13 |
|---|---|
| Molecular Weight | 935.48 g/mol |
| LogP | -3.6223 |
| Topological Polar Surface Area | 393.87 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Exact Mass | 935.4825 |
| Heavy Atoms | 66 |
| Complexity | 1842.0553 |
Chemical Identifiers
| CAS Number | 60830-80-0 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCNC(C)C)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 |
Product Overview
Iprocinodine II (CAS 60830-80-0), with molecular formula C40H65N13O13 and molecular weight 935.48 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-(propan-2-ylamino)butylamino]propyl]prop-2-enamide.
Chemical Property Profile of Iprocinodine II
Property Insights of Iprocinodine II
The XLogP value of -3.6223 indicates that Iprocinodine II is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 393.87 Ų indicates high polarity, suggesting Iprocinodine II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iprocinodine 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 Iprocinodine II?
The CAS number of Iprocinodine II is 60830-80-0.
What is the molecular formula of Iprocinodine II?
The molecular formula of Iprocinodine II is C40H65N13O13.
What is the molecular weight of Iprocinodine II?
The molecular weight of Iprocinodine II is 935.48 g/mol.
Where can I buy Iprocinodine II?
You can request a quote for Iprocinodine II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iprocinodine II?
Yes, KEHONG BIO provides custom synthesis services for Iprocinodine II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.