Tanespimycin
TL;DR: Tanespimycin (CAS 75747-14-7) is a chemical compound with molecular formula C31H43N3O8 and molecular weight 585.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Also Known As: Tanespimycin, Tanespimycin [USAN], 17-AAG, Tanespimycin [USAN:INN], 17-(Allylamino) Geldanamycin
| Molecular Formula | C31H43N3O8 |
|---|---|
| Molecular Weight | 585.30 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 585.305 |
| Heavy Atoms | 42 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 75747-14-7 |
|---|---|
| SMILES | C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC |
| InChIKey | AYUNIORJHRXIBJ-JDHGPBJTSA-N |
Product Overview
Tanespimycin (CAS 75747-14-7), with molecular formula C31H43N3O8 and molecular weight 585.30 g/mol. IUPAC: [(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate.
Chemical Property Profile of Tanespimycin
Property Insights of Tanespimycin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tanespimycin. The TPSA of 166.0 Ų indicates high polarity, suggesting Tanespimycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tanespimycin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tanespimycin?
The CAS number of Tanespimycin is 75747-14-7.
What is the molecular formula of Tanespimycin?
The molecular formula of Tanespimycin is C31H43N3O8.
What is the molecular weight of Tanespimycin?
The molecular weight of Tanespimycin is 585.30 g/mol.
Where can I buy Tanespimycin?
You can request a quote for Tanespimycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tanespimycin?
Yes, KEHONG BIO provides custom synthesis services for Tanespimycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.