RefChem:228776
TL;DR: RefChem:228776 (CAS 71802-95-4) is a chemical compound with molecular formula C23H25ClN4O3S and molecular weight 472.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b][1,8]naphthyridin-5-yl-[4-(butylsulfonylamino)-2-methoxyphenyl]azanium chloride
Also Known As: 4'-(Benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-1-butanesulfonanilide HCl dihydrate, 1-Butanesulfonanilide, 4'-(benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-, hydrochloride, dihydrate, benzo[b][1,8]naphthyridin-5-yl-[4-(butylsulfonylamino)-2-methoxyphenyl]azaniumchloride, 1-BUTANESULFONANILIDE, 4'-(BENZO(b)(1,8)NAPHTHYRIDIN-5-YLAMINO)-3'-METHOXY-, HYD, benzo[b][1,8]naphthyridin-5-yl-[4-(butylsulfonylamino)-2-methoxyphenyl]azanium chloride
| Molecular Formula | C23H25ClN4O3S |
|---|---|
| Molecular Weight | 472.13 g/mol |
| LogP | 0.86 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.13358 |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 71802-95-4 |
|---|---|
| SMILES | CCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=NC3=NC4=CC=CC=C42)OC.[Cl-] |
| InChIKey | ITLKQNHAFXUFIL-UHFFFAOYSA-N |
Product Overview
RefChem:228776 (CAS 71802-95-4), with molecular formula C23H25ClN4O3S and molecular weight 472.13 g/mol. IUPAC: benzo[b][1,8]naphthyridin-5-yl-[4-(butylsulfonylamino)-2-methoxyphenyl]azanium chloride.
Chemical Property Profile of RefChem:228776
Property Insights of RefChem:228776
The XLogP value of 0.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:228776. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228776. Following Lipinski's Rule of Five, RefChem:228776 has 2 hydrogen bond donor(s) and 7 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 RefChem:228776?
The CAS number of RefChem:228776 is 71802-95-4.
What is the molecular formula of RefChem:228776?
The molecular formula of RefChem:228776 is C23H25ClN4O3S.
What is the molecular weight of RefChem:228776?
The molecular weight of RefChem:228776 is 472.13 g/mol.
Where can I buy RefChem:228776?
You can request a quote for RefChem:228776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228776?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.