N-(Acetylvalyl)aminoacetonitril
TL;DR: N-(Acetylvalyl)aminoacetonitril (CAS 6401-50-9) is a chemical compound with molecular formula C22H15Cl2N3O2S2 and molecular weight 487.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
Also Known As: N-(Acetylvalyl)aminoacetonitril, N-(N-Acetyl-DL-valyl)-aminoacetonitril, N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide, N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide, N-({[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]amino}carbonothioyl)-3-chloro-4-methoxybenzamide
| Molecular Formula | C22H15Cl2N3O2S2 |
|---|---|
| Molecular Weight | 487.00 g/mol |
| LogP | 6.4055 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.99826 |
| Heavy Atoms | 31 |
| Complexity | 1274.1606 |
Chemical Identifiers
| CAS Number | 6401-50-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)Cl |
Product Overview
N-(Acetylvalyl)aminoacetonitril (CAS 6401-50-9), with molecular formula C22H15Cl2N3O2S2 and molecular weight 487.00 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide.
Chemical Property Profile of N-(Acetylvalyl)aminoacetonitril
Property Insights of N-(Acetylvalyl)aminoacetonitril
The XLogP value of 6.4055 indicates that N-(Acetylvalyl)aminoacetonitril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Acetylvalyl)aminoacetonitril. Following Lipinski's Rule of Five, N-(Acetylvalyl)aminoacetonitril has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(Acetylvalyl)aminoacetonitril?
The CAS number of N-(Acetylvalyl)aminoacetonitril is 6401-50-9.
What is the molecular formula of N-(Acetylvalyl)aminoacetonitril?
The molecular formula of N-(Acetylvalyl)aminoacetonitril is C22H15Cl2N3O2S2.
What is the molecular weight of N-(Acetylvalyl)aminoacetonitril?
The molecular weight of N-(Acetylvalyl)aminoacetonitril is 487.00 g/mol.
Where can I buy N-(Acetylvalyl)aminoacetonitril?
You can request a quote for N-(Acetylvalyl)aminoacetonitril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Acetylvalyl)aminoacetonitril?
Yes, KEHONG BIO provides custom synthesis services for N-(Acetylvalyl)aminoacetonitril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.