Azidoiodophenethylamidosuccinylcymarin
TL;DR: Azidoiodophenethylamidosuccinylcymarin (CAS 117751-59-4) is a chemical compound with molecular formula C42H55IN4O11 and molecular weight 918.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate
Also Known As: AISC, Azidoiodophenethylamidosuccinylcymarin, Azido-iodophenethylamido-succinyl-cymarine, N,N-dimethyl 2'-bromoanilino formamidine, [6-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate
| Molecular Formula | C42H55IN4O11 |
|---|---|
| Molecular Weight | 918.29 g/mol |
| LogP | 5.6697 |
| Topological Polar Surface Area | 215.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 918.2912 |
| Heavy Atoms | 58 |
| Complexity | 1857.8765 |
Chemical Identifiers
| CAS Number | 117751-59-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC(=O)CCC(=O)NCCC7=CC(=C(C=C7)N=[N+]=[N-])I |
Product Overview
Azidoiodophenethylamidosuccinylcymarin (CAS 117751-59-4), with molecular formula C42H55IN4O11 and molecular weight 918.29 g/mol. IUPAC: [6-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate.
Chemical Property Profile of Azidoiodophenethylamidosuccinylcymarin
Property Insights of Azidoiodophenethylamidosuccinylcymarin
The XLogP value of 5.6697 indicates that Azidoiodophenethylamidosuccinylcymarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.68 Ų indicates high polarity, suggesting Azidoiodophenethylamidosuccinylcymarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azidoiodophenethylamidosuccinylcymarin has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azidoiodophenethylamidosuccinylcymarin?
The CAS number of Azidoiodophenethylamidosuccinylcymarin is 117751-59-4.
What is the molecular formula of Azidoiodophenethylamidosuccinylcymarin?
The molecular formula of Azidoiodophenethylamidosuccinylcymarin is C42H55IN4O11.
What is the molecular weight of Azidoiodophenethylamidosuccinylcymarin?
The molecular weight of Azidoiodophenethylamidosuccinylcymarin is 918.29 g/mol.
Where can I buy Azidoiodophenethylamidosuccinylcymarin?
You can request a quote for Azidoiodophenethylamidosuccinylcymarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azidoiodophenethylamidosuccinylcymarin?
Yes, KEHONG BIO provides custom synthesis services for Azidoiodophenethylamidosuccinylcymarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.