RefChem:230637
TL;DR: RefChem:230637 (CAS 71802-98-7) is a chemical compound with molecular formula C26H31ClN4O3S and molecular weight 514.18 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-(heptylsulfonylamino)-2-methoxyphenyl]azanium chloride
Also Known As: 1-Heptanesulfonanilide, 4'-(benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-, hydrochloride, 4'-(Benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-1-heptanesulfonanilide hydrochloride, benzo[b][1,8]naphthyridin-5-yl-[4-(heptylsulfonylamino)-2-methoxyphenyl]azanium chloride, RefChem:230637
| Molecular Formula | C26H31ClN4O3S |
|---|---|
| Molecular Weight | 514.18 g/mol |
| LogP | 2.03 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 514.18054 |
| Heavy Atoms | 35 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 71802-98-7 |
|---|---|
| SMILES | CCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=NC3=NC4=CC=CC=C42)OC.[Cl-] |
| InChIKey | XVQVVUPICZWECX-UHFFFAOYSA-N |
Product Overview
RefChem:230637 (CAS 71802-98-7), with molecular formula C26H31ClN4O3S and molecular weight 514.18 g/mol. IUPAC: benzo[b][1,8]naphthyridin-5-yl-[4-(heptylsulfonylamino)-2-methoxyphenyl]azanium chloride.
Chemical Property Profile of RefChem:230637
Property Insights of RefChem:230637
The XLogP value of 2.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:230637. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:230637. Following Lipinski's Rule of Five, RefChem:230637 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:230637?
The CAS number of RefChem:230637 is 71802-98-7.
What is the molecular formula of RefChem:230637?
The molecular formula of RefChem:230637 is C26H31ClN4O3S.
What is the molecular weight of RefChem:230637?
The molecular weight of RefChem:230637 is 514.18 g/mol.
Where can I buy RefChem:230637?
You can request a quote for RefChem:230637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:230637?
Yes, KEHONG BIO provides custom synthesis services for RefChem:230637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.