RefChem:230712
TL;DR: RefChem:230712 (CAS 71802-97-6) is a chemical compound with molecular formula C25H29ClN4O3S and molecular weight 500.16 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-(hexylsulfonylamino)-2-methoxyphenyl]azanium chloride
Also Known As: C25H28N4O3S.ClH.1/2H2O, C25-H28-N4-O3-S.Cl-H.1/2H2-O, 4'-(Benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-1-hexanesulfonanilide HCl hemihydrate, 1-Hexanesulfonanilide, 4'-(benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-, hydrochloride, hemihydrate, 1-HEXANESULFONANILIDE, 4'-(BENZO(b)(1,8)NAPHTHYRIDIN-5-YLAMINO)-3'-METHOXY-, HYD
| Molecular Formula | C25H29ClN4O3S |
|---|---|
| Molecular Weight | 500.16 g/mol |
| LogP | 1.64 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.1649 |
| Heavy Atoms | 34 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 71802-97-6 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=NC3=NC4=CC=CC=C42)OC.[Cl-] |
| InChIKey | SQMCFCINUYGGDV-UHFFFAOYSA-N |
Product Overview
RefChem:230712 (CAS 71802-97-6), with molecular formula C25H29ClN4O3S and molecular weight 500.16 g/mol. IUPAC: benzo[b][1,8]naphthyridin-5-yl-[4-(hexylsulfonylamino)-2-methoxyphenyl]azanium chloride.
Chemical Property Profile of RefChem:230712
Property Insights of RefChem:230712
The XLogP value of 1.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:230712. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:230712. Following Lipinski's Rule of Five, RefChem:230712 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:230712?
The CAS number of RefChem:230712 is 71802-97-6.
What is the molecular formula of RefChem:230712?
The molecular formula of RefChem:230712 is C25H29ClN4O3S.
What is the molecular weight of RefChem:230712?
The molecular weight of RefChem:230712 is 500.16 g/mol.
Where can I buy RefChem:230712?
You can request a quote for RefChem:230712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:230712?
Yes, KEHONG BIO provides custom synthesis services for RefChem:230712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.