紫杉醇
TL;DR: 紫杉醇 (CAS 33069-62-4) is a chemical compound with molecular formula C42H52N6O13 and molecular weight 848.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫杉醇
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)-
| Molecular Formula | C42H52N6O13 |
|---|---|
| Molecular Weight | 848.36 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 328.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 848.35925 |
| Heavy Atoms | 61 |
| Complexity | 2030.0 |
Chemical Identifiers
| CAS Number | 33069-62-4 |
|---|---|
| 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 Overview
紫杉醇 (CAS 33069-62-4), with molecular formula C42H52N6O13 and molecular weight 848.36 g/mol. IUPAC: 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.
Chemical Property Profile of 紫杉醇
Property Insights of 紫杉醇
The XLogP value of -4.6 indicates that 紫杉醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 328.0 Ų indicates high polarity, suggesting 紫杉醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 紫杉醇 has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 紫杉醇?
The CAS number of 紫杉醇 is 33069-62-4.
What is the molecular formula of 紫杉醇?
The molecular formula of 紫杉醇 is C42H52N6O13.
What is the molecular weight of 紫杉醇?
The molecular weight of 紫杉醇 is 848.36 g/mol.
Where can I buy 紫杉醇?
You can request a quote for 紫杉醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫杉醇?
Yes, KEHONG BIO provides custom synthesis services for 紫杉醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.