coumermycin a1
TL;DR: coumermycin a1 (CAS 4434-05-3) is a chemical compound with molecular formula C55H59N5O20 and molecular weight 1109.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
Also Known As: coumermycin a1, COUMERMYCIN, [5-Hydroxy-6-[2-hydroxy-3-[[4-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-3-methyl1H-pyrrole-2-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate, [5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C55H59N5O20 |
|---|---|
| Molecular Weight | 1109.38 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 347.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Exact Mass | 1109.3754 |
| Heavy Atoms | 80 |
| Complexity | 2440.0 |
Chemical Identifiers
| CAS Number | 4434-05-3 |
|---|---|
| SMILES | CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)O)C)O |
| InChIKey | SEKYYZQVIOQXGF-UHFFFAOYSA-N |
Product Overview
coumermycin a1 (CAS 4434-05-3), with molecular formula C55H59N5O20 and molecular weight 1109.38 g/mol. IUPAC: [5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of coumermycin a1
Property Insights of coumermycin a1
The XLogP value of 4.8 indicates that coumermycin a1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 347.0 Ų indicates high polarity, suggesting coumermycin a1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, coumermycin a1 has 9 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of coumermycin a1?
The CAS number of coumermycin a1 is 4434-05-3.
What is the molecular formula of coumermycin a1?
The molecular formula of coumermycin a1 is C55H59N5O20.
What is the molecular weight of coumermycin a1?
The molecular weight of coumermycin a1 is 1109.38 g/mol.
Where can I buy coumermycin a1?
You can request a quote for coumermycin a1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for coumermycin a1?
Yes, KEHONG BIO provides custom synthesis services for coumermycin a1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.