J1.152.498B
TL;DR: J1.152.498B (CAS 196880-13-4) is a chemical compound with molecular formula C20H24N6O2S and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyano-N'-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]azepane-1-carboximidamide
Also Known As: J1.152.498B, N'-cyano-N-({4-[(3-methylphenyl)amino]pyridin-3-yl}sulfonyl)azepane-1-carboximidamide, N-cyano-N'-[4-[(3-methylphenyl)amino]pyridin-3-yl]sulfonyl-azepane-1-carboximidamide, 1H-Azepine-1-carboximidamide, N-cyanohexahydro-N'-((4-((3-methylphenyl)amino)-3-pyridinyl)sulfonyl)-, N-[(Hexahydro-1H-azepine-1-yl)(cyanoimino)methyl]-4-(3-methylanilino)-3-pyridinesulfonamide
| Molecular Formula | C20H24N6O2S |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 3.125 |
| Topological Polar Surface Area | 110.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.16815 |
| Heavy Atoms | 29 |
| Complexity | 1021.2621 |
Chemical Identifiers
| CAS Number | 196880-13-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)/N=C(\NC#N)/N3CCCCCC3 |
Product Overview
J1.152.498B (CAS 196880-13-4), with molecular formula C20H24N6O2S and molecular weight 412.17 g/mol. IUPAC: N-cyano-N'-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]azepane-1-carboximidamide.
Chemical Property Profile of J1.152.498B
Property Insights of J1.152.498B
The XLogP value of 3.125 indicates that J1.152.498B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.48 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.152.498B. Following Lipinski's Rule of Five, J1.152.498B has 2 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 J1.152.498B?
The CAS number of J1.152.498B is 196880-13-4.
What is the molecular formula of J1.152.498B?
The molecular formula of J1.152.498B is C20H24N6O2S.
What is the molecular weight of J1.152.498B?
The molecular weight of J1.152.498B is 412.17 g/mol.
Where can I buy J1.152.498B?
You can request a quote for J1.152.498B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.152.498B?
Yes, KEHONG BIO provides custom synthesis services for J1.152.498B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.