Iodoresiniferatoxin
TL;DR: Iodoresiniferatoxin (CAS 535974-91-5) is a chemical compound with molecular formula C37H39IO9 and molecular weight 754.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate
Also Known As: Iodoresiniferatoxin, 5 ?Iodoresiniferatoxin
| Molecular Formula | C37H39IO9 |
|---|---|
| Molecular Weight | 754.16 g/mol |
| LogP | 5.3493 |
| Topological Polar Surface Area | 120.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 754.1639 |
| Heavy Atoms | 47 |
| Complexity | 1734.2393 |
Chemical Identifiers
| CAS Number | 535974-91-5 |
|---|---|
| SMILES | CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC(=C(C(=C6)I)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C |
Product Overview
Iodoresiniferatoxin (CAS 535974-91-5), with molecular formula C37H39IO9 and molecular weight 754.16 g/mol. IUPAC: (13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate.
Chemical Property Profile of Iodoresiniferatoxin
Property Insights of Iodoresiniferatoxin
The XLogP value of 5.3493 indicates that Iodoresiniferatoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Iodoresiniferatoxin. Following Lipinski's Rule of Five, Iodoresiniferatoxin has 2 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 Iodoresiniferatoxin?
The CAS number of Iodoresiniferatoxin is 535974-91-5.
What is the molecular formula of Iodoresiniferatoxin?
The molecular formula of Iodoresiniferatoxin is C37H39IO9.
What is the molecular weight of Iodoresiniferatoxin?
The molecular weight of Iodoresiniferatoxin is 754.16 g/mol.
Where can I buy Iodoresiniferatoxin?
You can request a quote for Iodoresiniferatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodoresiniferatoxin?
Yes, KEHONG BIO provides custom synthesis services for Iodoresiniferatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.