paclitaxel
TL;DR: paclitaxel (CAS 33069-62-4) is a chemical compound with molecular formula C42H52N6O13 and molecular weight 848.35925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-(2-amino-2-oxoethyl)-4,22-bis(2-carboxyethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-9,26,27,28,30-pentazaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.010,15]triaconta-6(30),8(29),10,15,19-pentaen-17-yl]propanoic acid
Also Known As: paclitaxel, Benzenepropanoic acid, ?-(benzoylamino)-?-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-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, (?R,?S)-
Technical Specifications
| Molecular Formula | C42H52N6O13 |
| Molecular Weight | 848.35925 g/mol |
| XLogP | -4.6 |
| Topological Polar Surface Area (TPSA) | 328.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 848.35925 Da |
| Heavy Atoms | 61 |
| Complexity | 2030.0 |
| SMILES | CC12CC(=O)NC13CC4C(C(C(=N4)CC5=C(C6=C(N5)C(=C7C(C(C(=CC(C2CCC(=O)O)N3)N7)CC(=O)O)CCC(=O)O)C(=O)CC6)CC(=O)O)(C)CC(=O)N)CCC(=O)O |
| InChIKey | MSJQZXUMIHJIMI-UHFFFAOYSA-N |
Product Description
Applications: paclitaxel is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies paclitaxel (CAS 33069-62-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
paclitaxel (CAS 33069-62-4) is a fine chemical with the molecular formula C42H52N6O13 and a molecular weight of 848.36 g/mol. It is also known as paclitaxel and Benzenepropanoic acid, ?-(benzoylamino)-?-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-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, (?R,?S)-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of paclitaxel
Property Insights of paclitaxel
The XLogP value of -4.6 indicates that paclitaxel is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 328.0 Ų indicates high polarity, suggesting paclitaxel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, paclitaxel has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of paclitaxel?
The CAS number of paclitaxel is 33069-62-4.
What is the molecular formula of paclitaxel?
The molecular formula of paclitaxel is C42H52N6O13.
What is the molecular weight of paclitaxel?
The molecular weight of paclitaxel is 848.35925 g/mol.
What are the applications of paclitaxel?
paclitaxel is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies paclitaxel (CAS 33069-62-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy paclitaxel?
You can request a quote for paclitaxel directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for paclitaxel?
Yes, CoreyChem provides custom synthesis services for paclitaxel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.