RefChem:206346
TL;DR: RefChem:206346 (CAS 290815-43-9) is a chemical compound with molecular formula C33H38O12 and molecular weight 626.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,10S,12R,15S)-4,12,15-triacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-9,11-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: 7-Oxo-13-acetylbaccatin III, J1.321.733E, (2aR,4aS,6R,9S,11S,12S,12aR,12bS)-6,9,12b-Tris(acetyloxy)-12-(benzoyloxy)-2a,6,9,10,11,12,12a,12b-octahydro-11-hydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5(3H,4aH)-dione, (1S)-5beta,20-Epoxy-7,9-dioxotaxa-11-ene-1,2alpha,4,10beta,13alpha-pentol 2-benzoate 4,10,13-triacetate, (1S,2S,3R,4S,7R,10S,12R,15S)-4,12,15-tris(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-9,11-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
| Molecular Formula | C33H38O12 |
|---|---|
| Molecular Weight | 626.24 g/mol |
| LogP | 2.4316 |
| Topological Polar Surface Area | 168.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 626.2363 |
| Heavy Atoms | 45 |
| Complexity | 1510.2635 |
Chemical Identifiers
| CAS Number | 290815-43-9 |
|---|---|
| SMILES | CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C4=CC=CC=C4)[C@@]5(CO[C@@H]5CC3=O)OC(=O)C)C)OC(=O)C |
Product Overview
RefChem:206346 (CAS 290815-43-9), with molecular formula C33H38O12 and molecular weight 626.24 g/mol. IUPAC: [(1S,2S,3R,4S,7R,10S,12R,15S)-4,12,15-triacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-9,11-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
Chemical Property Profile of RefChem:206346
Property Insights of RefChem:206346
The XLogP value of 2.4316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:206346. The TPSA of 168.8 Ų indicates high polarity, suggesting RefChem:206346 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:206346 has 1 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 RefChem:206346?
The CAS number of RefChem:206346 is 290815-43-9.
What is the molecular formula of RefChem:206346?
The molecular formula of RefChem:206346 is C33H38O12.
What is the molecular weight of RefChem:206346?
The molecular weight of RefChem:206346 is 626.24 g/mol.
Where can I buy RefChem:206346?
You can request a quote for RefChem:206346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:206346?
Yes, KEHONG BIO provides custom synthesis services for RefChem:206346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.