S-4-Hydroxy-Alpha-methylbenzylamine
TL;DR: S-4-Hydroxy-Alpha-methylbenzylamine (CAS 221671-61-0) is a chemical compound with molecular formula C32H36ClN3O5S and molecular weight 609.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid
Also Known As: S-4-Hydroxy-Alpha-methylbenzylamine, 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid, J1.111.145I, 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid, (2-{[4-(4-Chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-t hiazol-2-yl]carbamoyl}-5,7-dimethyl-1H-indol-1-yl)acetic acid
| Molecular Formula | C32H36ClN3O5S |
|---|---|
| Molecular Weight | 609.21 g/mol |
| LogP | 7.90204 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 609.2064 |
| Heavy Atoms | 42 |
| Complexity | 1637.0513 |
Chemical Identifiers
| CAS Number | 221671-61-0 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C |
Product Overview
S-4-Hydroxy-Alpha-methylbenzylamine (CAS 221671-61-0), with molecular formula C32H36ClN3O5S and molecular weight 609.21 g/mol. IUPAC: 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid.
Chemical Property Profile of S-4-Hydroxy-Alpha-methylbenzylamine
Property Insights of S-4-Hydroxy-Alpha-methylbenzylamine
The XLogP value of 7.90204 indicates that S-4-Hydroxy-Alpha-methylbenzylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for S-4-Hydroxy-Alpha-methylbenzylamine. Following Lipinski's Rule of Five, S-4-Hydroxy-Alpha-methylbenzylamine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-4-Hydroxy-Alpha-methylbenzylamine?
The CAS number of S-4-Hydroxy-Alpha-methylbenzylamine is 221671-61-0.
What is the molecular formula of S-4-Hydroxy-Alpha-methylbenzylamine?
The molecular formula of S-4-Hydroxy-Alpha-methylbenzylamine is C32H36ClN3O5S.
What is the molecular weight of S-4-Hydroxy-Alpha-methylbenzylamine?
The molecular weight of S-4-Hydroxy-Alpha-methylbenzylamine is 609.21 g/mol.
Where can I buy S-4-Hydroxy-Alpha-methylbenzylamine?
You can request a quote for S-4-Hydroxy-Alpha-methylbenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-4-Hydroxy-Alpha-methylbenzylamine?
Yes, KEHONG BIO provides custom synthesis services for S-4-Hydroxy-Alpha-methylbenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.