InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4
TL;DR: InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 (CAS 3487-71-6) is a chemical compound with molecular formula C7H4BNO3 and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanato-1,3,2-benzodioxaborole
Also Known As: 2-isocyanato-1,3,2-benzodioxaborole, 2-isocyanato-2H-1,3,2-benzodioxaborole, J2.917.250A, 8-isocyanato-7,9-dioxa-8-borabicyclo[4.3.0]nona-1,3,5-triene, InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4
| Molecular Formula | C7H4BNO3 |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | 0.7785 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.02843 |
| Heavy Atoms | 12 |
| Complexity | 323.25964 |
Chemical Identifiers
| CAS Number | 3487-71-6 |
|---|---|
| SMILES | B1(OC2=CC=CC=C2O1)N=C=O |
Product Overview
InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 (CAS 3487-71-6), with molecular formula C7H4BNO3 and molecular weight 161.03 g/mol. IUPAC: 2-isocyanato-1,3,2-benzodioxaborole.
Chemical Property Profile of InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4
Property Insights of InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4
The XLogP value of 0.7785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4. With a topological polar surface area (TPSA) of 47.89 Ų, InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 has 0 hydrogen bond donor(s) and 4 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 InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4?
The CAS number of InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 is 3487-71-6.
What is the molecular formula of InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4?
The molecular formula of InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 is C7H4BNO3.
What is the molecular weight of InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4?
The molecular weight of InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 is 161.03 g/mol.
Where can I buy InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4?
You can request a quote for InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C7H4BNO3/c10-5-9-8-11-6-3-1-2-4-7(6)12-8/h1-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.