Carbomycin A
TL;DR: Carbomycin A (CAS 4564-87-8) is a chemical compound with molecular formula C42H67NO16 and molecular weight 841.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[6-[[7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Also Known As: Carbomycin A, [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate, [6-[6-[[7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
| Molecular Formula | C42H67NO16 |
|---|---|
| Molecular Weight | 841.45 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 841.446 |
| Heavy Atoms | 59 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 4564-87-8 |
|---|---|
| SMILES | CC1CC(C(C(C(CC(=O)OC(CC2C(O2)C=CC1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O |
| InChIKey | FQVHOULQCKDUCY-UHFFFAOYSA-N |
Product Overview
Carbomycin A (CAS 4564-87-8), with molecular formula C42H67NO16 and molecular weight 841.45 g/mol. IUPAC: [6-[6-[[7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate.
Chemical Property Profile of Carbomycin A
Property Insights of Carbomycin A
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbomycin A. The TPSA of 215.0 Ų indicates high polarity, suggesting Carbomycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbomycin A has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbomycin A?
The CAS number of Carbomycin A is 4564-87-8.
What is the molecular formula of Carbomycin A?
The molecular formula of Carbomycin A is C42H67NO16.
What is the molecular weight of Carbomycin A?
The molecular weight of Carbomycin A is 841.45 g/mol.
Where can I buy Carbomycin A?
You can request a quote for Carbomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbomycin A?
Yes, KEHONG BIO provides custom synthesis services for Carbomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.