AB00104116-01
TL;DR: AB00104116-01 (CAS 6198-46-5) is a chemical compound with molecular formula C22H30N2O6S and molecular weight 450.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
Also Known As: AB00104116-01, 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-(3-methoxypropyl)acetamide, N~2~-(3,4-Dimethoxybenzene-1-sulfonyl)-N~2~-(3,5-dimethylphenyl)-N-(3-methoxypropyl)glycinamide, N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-(3,5-dimethylphenyl)-N-(3-methoxypropyl)glycinamide, N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-(3,5-dimethylphenyl)-N~1~-(3-methoxypropyl)glycinamide
| Molecular Formula | C22H30N2O6S |
|---|---|
| Molecular Weight | 450.18 g/mol |
| LogP | 2.66864 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 450.18246 |
| Heavy Atoms | 31 |
| Complexity | 986.80585 |
Chemical Identifiers
| CAS Number | 6198-46-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N(CC(=O)NCCCOC)S(=O)(=O)C2=CC(=C(C=C2)OC)OC)C |
Product Overview
AB00104116-01 (CAS 6198-46-5), with molecular formula C22H30N2O6S and molecular weight 450.18 g/mol. IUPAC: 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-(3-methoxypropyl)acetamide.
Chemical Property Profile of AB00104116-01
Property Insights of AB00104116-01
The XLogP value of 2.66864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00104116-01. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00104116-01. Following Lipinski's Rule of Five, AB00104116-01 has 1 hydrogen bond donor(s) and 6 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 AB00104116-01?
The CAS number of AB00104116-01 is 6198-46-5.
What is the molecular formula of AB00104116-01?
The molecular formula of AB00104116-01 is C22H30N2O6S.
What is the molecular weight of AB00104116-01?
The molecular weight of AB00104116-01 is 450.18 g/mol.
Where can I buy AB00104116-01?
You can request a quote for AB00104116-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00104116-01?
Yes, KEHONG BIO provides custom synthesis services for AB00104116-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.