Agrimol B
TL;DR: Agrimol B (CAS 6339-95-3) is a chemical compound with molecular formula C37H46O12 and molecular weight 682.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one
Also Known As: Agrimol B, agrimolB, 2-DEACETYL WILFORMINE, AGRIMOL B (REFERENCE GRADE), J2.452.607K
| Molecular Formula | C37H46O12 |
|---|---|
| Molecular Weight | 682.30 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 682.29895 |
| Heavy Atoms | 49 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 6339-95-3 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C(=O)[C@@H](C)CC)O)CC3=C(C(=C(C(=C3O)C)OC)C(=O)CCC)O)O)O)C)OC |
| InChIKey | BVLHMPZMQVWDGX-INIZCTEOSA-N |
Product Overview
Agrimol B (CAS 6339-95-3), with molecular formula C37H46O12 and molecular weight 682.30 g/mol. IUPAC: (2S)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one.
Chemical Property Profile of Agrimol B
Property Insights of Agrimol B
The XLogP value of 7.7 indicates that Agrimol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting Agrimol B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agrimol B has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agrimol B?
The CAS number of Agrimol B is 6339-95-3.
What is the molecular formula of Agrimol B?
The molecular formula of Agrimol B is C37H46O12.
What is the molecular weight of Agrimol B?
The molecular weight of Agrimol B is 682.30 g/mol.
Where can I buy Agrimol B?
You can request a quote for Agrimol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agrimol B?
Yes, KEHONG BIO provides custom synthesis services for Agrimol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.