Betamin
TL;DR: Betamin (CAS 18071-61-9) is a chemical compound with molecular formula C9H12Cl2I2N2O2 and molecular weight 503.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-(5-amino-2,4-diiodophenyl)propanoic acid;dihydrochloride
Also Known As: Betamin, (+/-)-Betamin, beta-(5-Amino-2,4-diiodophenyl)-beta-alanine dihydrochloride, Hydrocinnamic acid, beta,5-diamino-2,4-diiodo-, dihydrochloride, Benzenepropanoic acid, beta,5-diamino-2,4-diiodo-, dihydrochloride
| Molecular Formula | C9H12Cl2I2N2O2 |
|---|---|
| Molecular Weight | 503.84 g/mol |
| LogP | 2.7961 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 503.83652 |
| Heavy Atoms | 17 |
| Complexity | 404.8274 |
Chemical Identifiers
| CAS Number | 18071-61-9 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)I)I)C(CC(=O)O)N.Cl.Cl |
Product Overview
Betamin (CAS 18071-61-9), with molecular formula C9H12Cl2I2N2O2 and molecular weight 503.84 g/mol. IUPAC: 3-amino-3-(5-amino-2,4-diiodophenyl)propanoic acid;dihydrochloride.
Chemical Property Profile of Betamin
Property Insights of Betamin
The XLogP value of 2.7961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Betamin. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Betamin. Following Lipinski's Rule of Five, Betamin has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Betamin?
The CAS number of Betamin is 18071-61-9.
What is the molecular formula of Betamin?
The molecular formula of Betamin is C9H12Cl2I2N2O2.
What is the molecular weight of Betamin?
The molecular weight of Betamin is 503.84 g/mol.
Where can I buy Betamin?
You can request a quote for Betamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betamin?
Yes, KEHONG BIO provides custom synthesis services for Betamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.