Theonezolide A
TL;DR: Theonezolide A (CAS 150243-49-5) is a chemical compound with molecular formula C79H140N4O22S2 and molecular weight 1560.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[[(E)-18-[6-[2-(9-aminodecyl)-1,3-thiazol-4-yl]-3-methyloxan-2-yl]-5,7,9,13,15,17-hexahydroxy-2,4-dimethyloctadec-2-enoyl]amino]-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trimethyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-yl] hydrogen sulfate
Also Known As: Theonezolide A, [5-[[(E)-18-[6-[2-(9-aminodecyl)-1,3-thiazol-4-yl]-3-methyloxan-2-yl]-5,7,9,13,15,17-hexahydroxy-2,4-dimethyloctadec-2-enoyl]amino]-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trimethyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-yl] hydrogen sulfate, [32-[[(E)-18-[6-[2-(9-aminodecyl)-1,3-thiazol-4-yl]-3-methyloxan-2-yl]-5,7,9,13,15,17-hexahydroxy-2,4-dimethyloctadec-2-enoyl]amino]-5,7,11,19,21,25-hexahydroxy-13-methoxy-16,30,33-trimethyl-35-oxo-34,38-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(39),14,36-trien-31-yl] hydrogen sulfate
| Molecular Formula | C79H140N4O22S2 |
|---|---|
| Molecular Weight | 1560.94 g/mol |
| LogP | 9.5912 |
| Topological Polar Surface Area | 445.16 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 31 |
| Exact Mass | 1560.9401 |
| Heavy Atoms | 107 |
| Complexity | 2886.2188 |
Chemical Identifiers
| CAS Number | 150243-49-5 |
|---|---|
| SMILES | CC1CCC(CC(CCCC(CCCCC(C(C(C(OC(=O)C2=COC(=N2)CCCC(CC(CCCC(CC(C=C1)OC)O)O)O)C)NC(=O)/C(=C/C(C)C(CC(CC(CCCC(CC(CC(CC3C(CCC(O3)C4=CSC(=N4)CCCCCCCCC(C)N)C)O)O)O)O)O)O)/C)OS(=O)(=O)O)C)O)O)O |
Product Overview
Theonezolide A (CAS 150243-49-5), with molecular formula C79H140N4O22S2 and molecular weight 1560.94 g/mol. IUPAC: [5-[[(E)-18-[6-[2-(9-aminodecyl)-1,3-thiazol-4-yl]-3-methyloxan-2-yl]-5,7,9,13,15,17-hexahydroxy-2,4-dimethyloctadec-2-enoyl]amino]-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trimethyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-yl] hydrogen sulfate.
Chemical Property Profile of Theonezolide A
Property Insights of Theonezolide A
The XLogP value of 9.5912 indicates that Theonezolide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 445.16 Ų indicates high polarity, suggesting Theonezolide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Theonezolide A has 15 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Theonezolide A?
The CAS number of Theonezolide A is 150243-49-5.
What is the molecular formula of Theonezolide A?
The molecular formula of Theonezolide A is C79H140N4O22S2.
What is the molecular weight of Theonezolide A?
The molecular weight of Theonezolide A is 1560.94 g/mol.
Where can I buy Theonezolide A?
You can request a quote for Theonezolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theonezolide A?
Yes, KEHONG BIO provides custom synthesis services for Theonezolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.