5,7-diiodo-3H-1,3-benzoxazol-2-one
TL;DR: 5,7-diiodo-3H-1,3-benzoxazol-2-one (CAS 439107-30-9) is a chemical compound with molecular formula C7H3I2NO2 and molecular weight 386.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-diiodo-3H-1,3-benzoxazol-2-one
Also Known As: Bionet1_004871, 5,7-diiodo-3H-1,3-benzoxazol-2-one, 5,7-Diiodo-2(3h)-benzoxazolone, 5,7-diiodobenzo[d]oxazol-2(3H)-one, 5,7-diiodo-2,3-dihydro-1,3-benzoxazol-2-one
| Molecular Formula | C7H3I2NO2 |
|---|---|
| Molecular Weight | 386.83 g/mol |
| LogP | 2.3303 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 386.82532 |
| Heavy Atoms | 12 |
| Complexity | 485.6023 |
Chemical Identifiers
| CAS Number | 439107-30-9 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC(=O)O2)I)I |
Product Overview
5,7-diiodo-3H-1,3-benzoxazol-2-one (CAS 439107-30-9), with molecular formula C7H3I2NO2 and molecular weight 386.83 g/mol. IUPAC: 5,7-diiodo-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 5,7-diiodo-3H-1,3-benzoxazol-2-one
Property Insights of 5,7-diiodo-3H-1,3-benzoxazol-2-one
The XLogP value of 2.3303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-diiodo-3H-1,3-benzoxazol-2-one. With a topological polar surface area (TPSA) of 46.0 Ų, 5,7-diiodo-3H-1,3-benzoxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-diiodo-3H-1,3-benzoxazol-2-one has 1 hydrogen bond donor(s) and 2 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 5,7-diiodo-3H-1,3-benzoxazol-2-one?
The CAS number of 5,7-diiodo-3H-1,3-benzoxazol-2-one is 439107-30-9.
What is the molecular formula of 5,7-diiodo-3H-1,3-benzoxazol-2-one?
The molecular formula of 5,7-diiodo-3H-1,3-benzoxazol-2-one is C7H3I2NO2.
What is the molecular weight of 5,7-diiodo-3H-1,3-benzoxazol-2-one?
The molecular weight of 5,7-diiodo-3H-1,3-benzoxazol-2-one is 386.83 g/mol.
Where can I buy 5,7-diiodo-3H-1,3-benzoxazol-2-one?
You can request a quote for 5,7-diiodo-3H-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-diiodo-3H-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5,7-diiodo-3H-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.