C9H8BrNO4.ClH
TL;DR: C9H8BrNO4.ClH (CAS 101976-16-3) is a chemical compound with molecular formula C9H9BrClNO4 and molecular weight 308.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-2-benzofuran-1-one;hydrochloride
Also Known As: 3-Aminomethyl-4-bromo-6,7-dihydroxyphthalide hydrochloride, Phthalide, 3-aminomethyl-4-bromo-6,7-dihydroxy-, hydrochloride, 3-(Aminomethyl)-4-bromo-6,7-dihydroxy-2-benzofuran-1(3H)-one--hydrogen chloride (1/1), 3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-2-benzofuran-1-one hydrochloride, RefChem:1066973
| Molecular Formula | C9H9BrClNO4 |
|---|---|
| Molecular Weight | 308.94 g/mol |
| LogP | 1.4523 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.94034 |
| Heavy Atoms | 16 |
| Complexity | 451.6254 |
Chemical Identifiers
| CAS Number | 101976-16-3 |
|---|---|
| SMILES | C1=C(C(=C2C(=C1Br)C(OC2=O)CN)O)O.Cl |
Product Overview
C9H8BrNO4.ClH (CAS 101976-16-3), with molecular formula C9H9BrClNO4 and molecular weight 308.94 g/mol. IUPAC: 3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-2-benzofuran-1-one;hydrochloride.
Chemical Property Profile of C9H8BrNO4.ClH
Property Insights of C9H8BrNO4.ClH
The XLogP value of 1.4523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H8BrNO4.ClH. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H8BrNO4.ClH. Following Lipinski's Rule of Five, C9H8BrNO4.ClH has 3 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 C9H8BrNO4.ClH?
The CAS number of C9H8BrNO4.ClH is 101976-16-3.
What is the molecular formula of C9H8BrNO4.ClH?
The molecular formula of C9H8BrNO4.ClH is C9H9BrClNO4.
What is the molecular weight of C9H8BrNO4.ClH?
The molecular weight of C9H8BrNO4.ClH is 308.94 g/mol.
Where can I buy C9H8BrNO4.ClH?
You can request a quote for C9H8BrNO4.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H8BrNO4.ClH?
Yes, KEHONG BIO provides custom synthesis services for C9H8BrNO4.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.