2'-Iododihydrorhodamine 123
TL;DR: 2'-Iododihydrorhodamine 123 (CAS 109282-63-5) is a chemical compound with molecular formula C21H17IN2O3 and molecular weight 472.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate
Also Known As: 2'-Iododihydrorhodamine 123, 2'-(127-125I)-Iododihydrorhodamine, methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate, Benzoic acid, 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)-, methyl ester, RefChem:80386
| Molecular Formula | C21H17IN2O3 |
|---|---|
| Molecular Weight | 472.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.02838 |
| Heavy Atoms | 27 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 109282-63-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4I)N |
| InChIKey | VXSMFLODMGQAJI-UHFFFAOYSA-N |
Product Overview
2'-Iododihydrorhodamine 123 (CAS 109282-63-5), with molecular formula C21H17IN2O3 and molecular weight 472.03 g/mol. IUPAC: methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate.
Chemical Property Profile of 2'-Iododihydrorhodamine 123
Property Insights of 2'-Iododihydrorhodamine 123
The XLogP value of 4.0 indicates that 2'-Iododihydrorhodamine 123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Iododihydrorhodamine 123. Following Lipinski's Rule of Five, 2'-Iododihydrorhodamine 123 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Iododihydrorhodamine 123?
The CAS number of 2'-Iododihydrorhodamine 123 is 109282-63-5.
What is the molecular formula of 2'-Iododihydrorhodamine 123?
The molecular formula of 2'-Iododihydrorhodamine 123 is C21H17IN2O3.
What is the molecular weight of 2'-Iododihydrorhodamine 123?
The molecular weight of 2'-Iododihydrorhodamine 123 is 472.03 g/mol.
Where can I buy 2'-Iododihydrorhodamine 123?
You can request a quote for 2'-Iododihydrorhodamine 123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Iododihydrorhodamine 123?
Yes, KEHONG BIO provides custom synthesis services for 2'-Iododihydrorhodamine 123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.