Dolabellin
TL;DR: Dolabellin (CAS 165467-49-2) is a chemical compound with molecular formula C24H32Cl2N2O8S2 and molecular weight 610.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-7,7-dichloro-1-[(1S)-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylpropoxy]-2-methyl-1-oxooctan-3-yl] 2-[(1R)-1,2-dihydroxyethyl]-1,3-thiazole-4-carboxylate
Also Known As: Dolabellin, NCI60_029594, [(2R,3S)-7,7-dichloro-1-[(1S)-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylpropoxy]-2-methyl-1-oxooctan-3-yl] 2-[(1R)-1,2-dihydroxyethyl]-1,3-thiazole-4-carboxylate, ((2R,3S)-7,7-dichloro-1-((1S)-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylpropoxy)-2-methyl-1-oxooctan-3-yl) 2-((1R)-1,2-dihydroxyethyl)-1,3-thiazole-4-carboxylate, (2R,3S)-7,7-Dichloro-2-methyl-3-[[[2-[(R)-1,2-dihydroxyethyl]thiazol-4-yl]carbonyl]oxy]octanoic acid (S)-1-[4-(methoxycarbonyl)thiazol-2-yl]-2-methylpropyl ester
| Molecular Formula | C24H32Cl2N2O8S2 |
|---|---|
| Molecular Weight | 610.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 610.0977 |
| Heavy Atoms | 38 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 165467-49-2 |
|---|---|
| SMILES | C[C@H]([C@H](CCCC(C)(Cl)Cl)OC(=O)C1=CSC(=N1)[C@@H](CO)O)C(=O)O[C@H](C2=NC(=CS2)C(=O)OC)C(C)C |
| InChIKey | JHKFWJUVTLNOJZ-ZSGPHXLJSA-N |
Product Overview
Dolabellin (CAS 165467-49-2), with molecular formula C24H32Cl2N2O8S2 and molecular weight 610.10 g/mol. IUPAC: [(2R,3S)-7,7-dichloro-1-[(1S)-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylpropoxy]-2-methyl-1-oxooctan-3-yl] 2-[(1R)-1,2-dihydroxyethyl]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Dolabellin
Property Insights of Dolabellin
The XLogP value of 4.8 indicates that Dolabellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting Dolabellin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dolabellin has 2 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 Dolabellin?
The CAS number of Dolabellin is 165467-49-2.
What is the molecular formula of Dolabellin?
The molecular formula of Dolabellin is C24H32Cl2N2O8S2.
What is the molecular weight of Dolabellin?
The molecular weight of Dolabellin is 610.10 g/mol.
Where can I buy Dolabellin?
You can request a quote for Dolabellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dolabellin?
Yes, KEHONG BIO provides custom synthesis services for Dolabellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.