((Azidophenyl)ureido)taxoid
TL;DR: ((Azidophenyl)ureido)taxoid (CAS 155144-12-0) is a chemical compound with molecular formula C48H53N5O14 and molecular weight 923.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[[(4-azidophenyl)-methylcarbamoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Taxapu, ((Azidophenyl)ureido)taxoid, [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[[(4-azidophenyl)-methylcarbamoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate, 6,12b-Bis(acetyloxy)-12(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl beta-((((4-azidophenyl)methylamino)carbonyl)amino)-alpha-hydroxybenzenepropanoate (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-, Benzenepropanoic acid, beta-((((4-azidophenyl)methylamino)carbonyl)amino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-
| Molecular Formula | C48H53N5O14 |
|---|---|
| Molecular Weight | 923.36 g/mol |
| LogP | 5.0935 |
| Topological Polar Surface Area | 273.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 923.3589 |
| Heavy Atoms | 67 |
| Complexity | 2531.4248 |
Chemical Identifiers
| CAS Number | 155144-12-0 |
|---|---|
| SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)N(C)C6=CC=C(C=C6)N=[N+]=[N-])O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
Product Overview
((Azidophenyl)ureido)taxoid (CAS 155144-12-0), with molecular formula C48H53N5O14 and molecular weight 923.36 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[[(4-azidophenyl)-methylcarbamoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of ((Azidophenyl)ureido)taxoid
Property Insights of ((Azidophenyl)ureido)taxoid
The XLogP value of 5.0935 indicates that ((Azidophenyl)ureido)taxoid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.29 Ų indicates high polarity, suggesting ((Azidophenyl)ureido)taxoid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((Azidophenyl)ureido)taxoid has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((Azidophenyl)ureido)taxoid?
The CAS number of ((Azidophenyl)ureido)taxoid is 155144-12-0.
What is the molecular formula of ((Azidophenyl)ureido)taxoid?
The molecular formula of ((Azidophenyl)ureido)taxoid is C48H53N5O14.
What is the molecular weight of ((Azidophenyl)ureido)taxoid?
The molecular weight of ((Azidophenyl)ureido)taxoid is 923.36 g/mol.
Where can I buy ((Azidophenyl)ureido)taxoid?
You can request a quote for ((Azidophenyl)ureido)taxoid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((Azidophenyl)ureido)taxoid?
Yes, KEHONG BIO provides custom synthesis services for ((Azidophenyl)ureido)taxoid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.