Kedarcidin chromophore
TL;DR: Kedarcidin chromophore (CAS 143591-04-2) 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-[(3S,9R,14S,15E,19S,21R,24R)-6-chloro-24-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-14-[(2S,4S,5S,6S)-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-9-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide
Also Known As: Kedarcidin chromophore, J1.493.129E, J1.609.753E, (1S,7R,12S,17S,18R,19R)-17,18-Epoxy-4-chloro-7-[(6-hydroxy-3-isopropoxy-1,2-dimethoxy-7-naphthyl)carbonylamino]-19-(3-C-methyl-2,6-dideoxy-alpha-L-ribo-hexopyranosyloxy)-12-[4-(dimethylamino)-2,4,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy]-2,10-dioxa-5-azatetracyclo[11.6.4.23,6.018,21]pentacosane-3,5,13,20,24-pentaene-15,22-diyne-9-one, (3S,9E)-3beta,5,10-(1-Butene-3-yne-1,2,4-triyl)-4beta-(3-C-methyl-2,6-dideoxy-alpha-L-ribo-hexopyranosyloxy)-5alpha,6beta-epoxy-11alpha-[4-(dimethylamino)-2,4,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy]-16beta-(3-hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthylcarbonylamino)-19-chloro-2,13-dioxa-18-aza-bicyclo[15.2.2]henicosane-1(19),9,17,20-tetraene-7-yne-14-one
| Molecular Formula | C53H60ClN3O16 |
|---|---|
| Molecular Weight | 1029.37 g/mol |
| LogP | 4.0312 |
| 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 | 143591-04-2 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]\2COC(=O)C[C@H](C3=NC(=C(C=C3)O[C@H]4C=C5C#C/C2=C\C#C[C@H]6[C@]5([C@@H]4O[C@H]7C[C@@]([C@H]([C@@H](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 chromophore (CAS 143591-04-2), with molecular formula C53H60ClN3O16 and molecular weight 1029.37 g/mol. IUPAC: N-[(3S,9R,14S,15E,19S,21R,24R)-6-chloro-24-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-14-[(2S,4S,5S,6S)-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-9-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide.
Chemical Property Profile of Kedarcidin chromophore
Property Insights of Kedarcidin chromophore
The XLogP value of 4.0312 indicates that Kedarcidin chromophore is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.82 Ų indicates high polarity, suggesting Kedarcidin chromophore may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kedarcidin chromophore 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 chromophore?
The CAS number of Kedarcidin chromophore is 143591-04-2.
What is the molecular formula of Kedarcidin chromophore?
The molecular formula of Kedarcidin chromophore is C53H60ClN3O16.
What is the molecular weight of Kedarcidin chromophore?
The molecular weight of Kedarcidin chromophore is 1029.37 g/mol.
Where can I buy Kedarcidin chromophore?
You can request a quote for Kedarcidin chromophore directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kedarcidin chromophore?
Yes, KEHONG BIO provides custom synthesis services for Kedarcidin chromophore and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.