Kedarcidin
TL;DR: Kedarcidin (CAS 128512-39-0) is a chemical compound with molecular formula C53H60ClN3O16 and molecular weight 1029.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(15E)-6-chloro-24-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-14-[5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-11-oxo-4,12,20-trioxa-7-azapentacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaen-17,22-diyn-10-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide
Also Known As: Kedarcidin, N-[(15E)-6-chloro-24-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-14-[5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-11-oxo-4,12,20-trioxa-7-azapentacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaen-17,22-diyn-10-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide, N-[chloro-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-[5-(dimethylamino)-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-oxo-[?]yl]-3-hydroxy-6-isopropoxy-7,8-dimethoxy-naphthalene-2-carboxamide
| Molecular Formula | C53H60ClN3O16 |
|---|---|
| Molecular Weight | 1029.37 g/mol |
| LogP | 3.5111 |
| Topological Polar Surface Area | 238.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 1029.3662 |
| Heavy Atoms | 73 |
| Complexity | 2836.634 |
Chemical Identifiers
| CAS Number | 128512-39-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC\2COC(=O)C(CC3=NC(=C(C=C3)OC4C=C5C#C/C2=C\C#CC6C5(C4OC7CC(C(C(O7)C)O)(C)O)O6)Cl)NC(=O)C8=C(C=C9C=C(C(=C(C9=C8)OC)OC)OC(C)C)O)O)N(C)C |
Product Overview
Kedarcidin (CAS 128512-39-0), with molecular formula C53H60ClN3O16 and molecular weight 1029.37 g/mol. IUPAC: N-[(15E)-6-chloro-24-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-14-[5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-11-oxo-4,12,20-trioxa-7-azapentacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaen-17,22-diyn-10-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide.
Chemical Property Profile of Kedarcidin
Property Insights of Kedarcidin
The XLogP value of 3.5111 indicates that Kedarcidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.82 Ų indicates high polarity, suggesting Kedarcidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kedarcidin has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kedarcidin?
The CAS number of Kedarcidin is 128512-39-0.
What is the molecular formula of Kedarcidin?
The molecular formula of Kedarcidin is C53H60ClN3O16.
What is the molecular weight of Kedarcidin?
The molecular weight of Kedarcidin is 1029.37 g/mol.
Where can I buy Kedarcidin?
You can request a quote for Kedarcidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kedarcidin?
Yes, KEHONG BIO provides custom synthesis services for Kedarcidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.