Bafilomycin A
TL;DR: Bafilomycin A (CAS 116764-51-3) is a chemical compound with molecular formula C35H58O9 and molecular weight 622.4081 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Also Known As: Bafilomycin A, bafilomycin A1, SID:134223375, (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one, (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose
Technical Specifications
| Molecular Formula | C35H58O9 |
| Molecular Weight | 622.4081 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 622.4081 Da |
| Heavy Atoms | 44 |
| Complexity | 1060.0 |
| SMILES | C[C@@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C |
| InChIKey | XDHNQDDQEHDUTM-XJKSCTEHSA-N |
Chemical Property Profile of Bafilomycin A
Property Insights of Bafilomycin A
The XLogP value of 6.0 indicates that Bafilomycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bafilomycin A. Following Lipinski's Rule of Five, Bafilomycin A has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bafilomycin A?
The CAS number of Bafilomycin A is 116764-51-3.
What is the molecular formula of Bafilomycin A?
The molecular formula of Bafilomycin A is C35H58O9.
What is the molecular weight of Bafilomycin A?
The molecular weight of Bafilomycin A is 622.4081 g/mol.
Where can I buy Bafilomycin A?
You can request a quote for Bafilomycin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bafilomycin A?
Yes, CoreyChem provides custom synthesis services for Bafilomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.