![N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide structure](/static/products/103/1036732-50-9.png)
N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide
TL;DR: N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide (CAS 1036732-50-9) is a chemical compound with molecular formula C21H25N3O4S2 and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
Also Known As: ChemDiv3_010310, BRD-A56418171-001-01-5, N-(4-Methoxybenzyl)-3-methyl-2-(2-methylbenzothiazole-6-sulfonamido)butanamide, N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide, N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
| Molecular Formula | C21H25N3O4S2 |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 3.23262 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.12866 |
| Heavy Atoms | 30 |
| Complexity | 1138.7728 |
Chemical Identifiers
| CAS Number | 1036732-50-9 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=C(C=C3)OC |
Product Overview
N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide (CAS 1036732-50-9), with molecular formula C21H25N3O4S2 and molecular weight 447.13 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide.
Chemical Property Profile of N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide
Property Insights of N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide
The XLogP value of 3.23262 indicates that N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide. Following Lipinski's Rule of Five, N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide has 2 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 N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide?
The CAS number of N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide is 1036732-50-9.
What is the molecular formula of N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide?
The molecular formula of N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide is C21H25N3O4S2.
What is the molecular weight of N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide?
The molecular weight of N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide is 447.13 g/mol.
Where can I buy N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide?
You can request a quote for N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(4-methoxybenzyl)-N~2~-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.