Yatakemycin
TL;DR: Yatakemycin (CAS 606136-98-5) is a chemical compound with molecular formula C36H30N4O8S and molecular weight 678.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-hydroxy-6-[10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-7-oxo-10-azatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl] ethanethioate
Also Known As: Yatakemycin, Ethanethioic acid, S-[6-[[1,1a,2,3,5,6-hexahydro-3-[(6-hydroxy-5-methoxy-1H-indol-2-yl)carbonyl]-5-oxocyclopenta[e]cycloprop[c]indol-7-yl]carbonyl]-3,6,7,8-tetrahydro-5-hydroxy-4-methoxypyrrolo[3,2-e]indol-2-yl] ester, S-[5-hydroxy-6-[(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-oxo-[?]carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl] ethanethioate, S-{5-Hydroxy-6-[3-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-5-oxo-1,1a,2,3,5,6-hexahydrocyclopenta[e]cyclopropa[c]indole-7-carbonyl]-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl} ethanethioate
| Molecular Formula | C36H30N4O8S |
|---|---|
| Molecular Weight | 678.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 678.1784 |
| Heavy Atoms | 49 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 606136-98-5 |
|---|---|
| SMILES | CC(=O)SC1=CC2=C3CCN(C3=C(C(=C2N1)OC)O)C(=O)C4=CC5=C(C4)C(=O)C=C6C57CC7CN6C(=O)C8=CC9=CC(=C(C=C9N8)O)OC |
| InChIKey | QSZHAMMVDIPHLJ-UHFFFAOYSA-N |
Product Overview
Yatakemycin (CAS 606136-98-5), with molecular formula C36H30N4O8S and molecular weight 678.18 g/mol. IUPAC: S-[5-hydroxy-6-[10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-7-oxo-10-azatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl] ethanethioate.
Chemical Property Profile of Yatakemycin
Property Insights of Yatakemycin
The XLogP value of 3.4 indicates that Yatakemycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting Yatakemycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yatakemycin 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 Yatakemycin?
The CAS number of Yatakemycin is 606136-98-5.
What is the molecular formula of Yatakemycin?
The molecular formula of Yatakemycin is C36H30N4O8S.
What is the molecular weight of Yatakemycin?
The molecular weight of Yatakemycin is 678.18 g/mol.
Where can I buy Yatakemycin?
You can request a quote for Yatakemycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yatakemycin?
Yes, KEHONG BIO provides custom synthesis services for Yatakemycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.