FR-227369 hydrochloride
TL;DR: FR-227369 hydrochloride (CAS 248958-45-4) is a chemical compound with molecular formula C13H16ClN3O4S and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylidene)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide;hydrochloride
Also Known As: FR-227369 hydrochloride, FR-227369 monohydrochloride, 1-Benzoxepin-4-carboxamide, N-(aminoiminomethyl)-2,3-dihydro-9-(methylsulfonyl)-, hydrochloride (1:1), 1-Benzoxepin-4-carboxamide, N-(aminoiminomethyl)-2,3-dihydro-9-(methylsulfonyl)-, monohydrochloride
| Molecular Formula | C13H16ClN3O4S |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 0.4778 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.055 |
| Heavy Atoms | 22 |
| Complexity | 752.54877 |
Chemical Identifiers
| CAS Number | 248958-45-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.Cl |
Product Overview
FR-227369 hydrochloride (CAS 248958-45-4), with molecular formula C13H16ClN3O4S and molecular weight 345.06 g/mol. IUPAC: N-(diaminomethylidene)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide;hydrochloride.
Chemical Property Profile of FR-227369 hydrochloride
Property Insights of FR-227369 hydrochloride
The XLogP value of 0.4778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FR-227369 hydrochloride. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for FR-227369 hydrochloride. Following Lipinski's Rule of Five, FR-227369 hydrochloride has 2 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 FR-227369 hydrochloride?
The CAS number of FR-227369 hydrochloride is 248958-45-4.
What is the molecular formula of FR-227369 hydrochloride?
The molecular formula of FR-227369 hydrochloride is C13H16ClN3O4S.
What is the molecular weight of FR-227369 hydrochloride?
The molecular weight of FR-227369 hydrochloride is 345.06 g/mol.
Where can I buy FR-227369 hydrochloride?
You can request a quote for FR-227369 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR-227369 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for FR-227369 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.