吉他霉素
TL;DR: 吉他霉素 (CAS 1392-21-8) is a chemical compound with molecular formula C40H67NO14 and molecular weight 785.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吉他霉素
[6-[6-[[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Also Known As: kitasamycin, Leucomycin A1, [6-[6-[[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate, 6-[(6-{[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate
| Molecular Formula | C40H67NO14 |
|---|---|
| Molecular Weight | 785.46 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 785.4562 |
| Heavy Atoms | 55 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 1392-21-8 |
|---|---|
| SMILES | CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O |
| InChIKey | IEMDOFXTVAPVLX-UHFFFAOYSA-N |
Product Overview
吉他霉素 (CAS 1392-21-8), with molecular formula C40H67NO14 and molecular weight 785.46 g/mol. IUPAC: [6-[6-[[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate.
Chemical Property Profile of 吉他霉素
Property Insights of 吉他霉素
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吉他霉素. The TPSA of 200.0 Ų indicates high polarity, suggesting 吉他霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, kitasamycin has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of kitasamycin?
The CAS number of kitasamycin is 1392-21-8.
What is the molecular formula of kitasamycin?
The molecular formula of kitasamycin is C40H67NO14.
What is the molecular weight of kitasamycin?
The molecular weight of kitasamycin is 785.46 g/mol.
Where can I buy kitasamycin?
You can request a quote for kitasamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for kitasamycin?
Yes, KEHONG BIO provides custom synthesis services for kitasamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.