bafilomycin A1
TL;DR: bafilomycin A1 (CAS 88899-55-2) is a chemical compound with molecular formula C35H58O9 and molecular weight 622.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[4-(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 A1, Bafilomycin A, NCI60_003625, 16-[4-(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, (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one
| Molecular Formula | C35H58O9 |
|---|---|
| Molecular Weight | 622.41 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 622.4081 |
| Heavy Atoms | 44 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 88899-55-2 |
|---|---|
| SMILES | CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)C |
| InChIKey | XDHNQDDQEHDUTM-UHFFFAOYSA-N |
Product Overview
bafilomycin A1 (CAS 88899-55-2), with molecular formula C35H58O9 and molecular weight 622.41 g/mol. IUPAC: 16-[4-(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.
Chemical Property Profile of bafilomycin A1
Property Insights of bafilomycin A1
The XLogP value of 6.0 indicates that bafilomycin A1 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 A1. Following Lipinski's Rule of Five, bafilomycin A1 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 bafilomycin A1?
The CAS number of bafilomycin A1 is 88899-55-2.
What is the molecular formula of bafilomycin A1?
The molecular formula of bafilomycin A1 is C35H58O9.
What is the molecular weight of bafilomycin A1?
The molecular weight of bafilomycin A1 is 622.41 g/mol.
Where can I buy bafilomycin A1?
You can request a quote for bafilomycin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bafilomycin A1?
Yes, KEHONG BIO provides custom synthesis services for bafilomycin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.