Batumin
TL;DR: Batumin (CAS 174513-95-2) is a chemical compound with molecular formula C30H48N2O7 and molecular weight 548.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid
Also Known As: Batumin, 20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid, 20-[[3-[(Aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-eicosatrienoic acid
| Molecular Formula | C30H48N2O7 |
|---|---|
| Molecular Weight | 548.35 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 548.3461 |
| Heavy Atoms | 39 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 174513-95-2 |
|---|---|
| SMILES | CC(CC=CC=CCCC(=C)CC(C)CC(=CC(=O)O)C)CC(=O)CC(CNC(=O)C(C)C(C)OC(=O)N)O |
| InChIKey | GENAAYFYLGYPIQ-UHFFFAOYSA-N |
Product Overview
Batumin (CAS 174513-95-2), with molecular formula C30H48N2O7 and molecular weight 548.35 g/mol. IUPAC: 20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid.
Chemical Property Profile of Batumin
Property Insights of Batumin
The XLogP value of 4.8 indicates that Batumin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Batumin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Batumin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Batumin?
The CAS number of Batumin is 174513-95-2.
What is the molecular formula of Batumin?
The molecular formula of Batumin is C30H48N2O7.
What is the molecular weight of Batumin?
The molecular weight of Batumin is 548.35 g/mol.
Where can I buy Batumin?
You can request a quote for Batumin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batumin?
Yes, KEHONG BIO provides custom synthesis services for Batumin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.