Diiodo-philanthotoxin-343-arginine
TL;DR: Diiodo-philanthotoxin-343-arginine (CAS 134419-06-0) is a chemical compound with molecular formula C29H51I2N9O4 and molecular weight 839.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-(4-hydroxy-3,5-di(125I)iodophenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide
Also Known As: I-Phtx-343-arg, Diiodo-philanthotoxin-343-arginine, (2S)-2-Amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide, (2S)-2-Amino-5-(carbamimidoylamino)-N-[(15S)-14,17-dihydroxy-15-({4-hydroxy-3,5-bis[(~125~I)iodo]phenyl}methyl)-4,9,13,16-tetraazaicosa-13,16-dien-1-yl]pentanimidic acid, (2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide
| Molecular Formula | C29H51I2N9O4 |
|---|---|
| Molecular Weight | 839.22 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Exact Mass | 839.21564 |
| Heavy Atoms | 44 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 134419-06-0 |
|---|---|
| SMILES | CCCC(=O)N[C@@H](CC1=CC(=C(C(=C1)[125I])O)[125I])C(=O)NCCCNCCCCNCCCNC(=O)[C@H](CCCN=C(N)N)N |
| InChIKey | OAAQEYQIFYXRKL-PXHQORNJSA-N |
Product Overview
Diiodo-philanthotoxin-343-arginine (CAS 134419-06-0), with molecular formula C29H51I2N9O4 and molecular weight 839.22 g/mol. IUPAC: (2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-(4-hydroxy-3,5-di(125I)iodophenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide.
Chemical Property Profile of Diiodo-philanthotoxin-343-arginine
Property Insights of Diiodo-philanthotoxin-343-arginine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diiodo-philanthotoxin-343-arginine. The TPSA of 222.0 Ų indicates high polarity, suggesting Diiodo-philanthotoxin-343-arginine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diiodo-philanthotoxin-343-arginine has 9 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diiodo-philanthotoxin-343-arginine?
The CAS number of Diiodo-philanthotoxin-343-arginine is 134419-06-0.
What is the molecular formula of Diiodo-philanthotoxin-343-arginine?
The molecular formula of Diiodo-philanthotoxin-343-arginine is C29H51I2N9O4.
What is the molecular weight of Diiodo-philanthotoxin-343-arginine?
The molecular weight of Diiodo-philanthotoxin-343-arginine is 839.22 g/mol.
Where can I buy Diiodo-philanthotoxin-343-arginine?
You can request a quote for Diiodo-philanthotoxin-343-arginine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diiodo-philanthotoxin-343-arginine?
Yes, KEHONG BIO provides custom synthesis services for Diiodo-philanthotoxin-343-arginine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.