A3508/0148635
TL;DR: A3508/0148635 (CAS 585563-32-2) is a chemical compound with molecular formula C22H27N3O3S3 and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-benzylpiperidine-1-carbothioyl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: A3508/0148635, ethyl 2-[(2-{[(4-benzylpiperidino)carbothioyl]sulfanyl}acetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate, ethyl (2E)-2-[({[(4-benzylpiperidin-1-yl)carbonothioyl]sulfanyl}acetyl)imino]-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 2-(2-((4-benzylpiperidine-1-carbonothioyl)thio)acetamido)-4-methylthiazole-5-carboxylate, ethyl 2-[({[(4-benzylpiperidin-1-yl)carbonothioyl]sulfanyl}acetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C22H27N3O3S3 |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 4.53952 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.12146 |
| Heavy Atoms | 31 |
| Complexity | 909.225 |
Chemical Identifiers
| CAS Number | 585563-32-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC(=S)N2CCC(CC2)CC3=CC=CC=C3)C |
Product Overview
A3508/0148635 (CAS 585563-32-2), with molecular formula C22H27N3O3S3 and molecular weight 477.12 g/mol. IUPAC: ethyl 2-[[2-(4-benzylpiperidine-1-carbothioyl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of A3508/0148635
Property Insights of A3508/0148635
The XLogP value of 4.53952 indicates that A3508/0148635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A3508/0148635. Following Lipinski's Rule of Five, A3508/0148635 has 1 hydrogen bond donor(s) and 7 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 A3508/0148635?
The CAS number of A3508/0148635 is 585563-32-2.
What is the molecular formula of A3508/0148635?
The molecular formula of A3508/0148635 is C22H27N3O3S3.
What is the molecular weight of A3508/0148635?
The molecular weight of A3508/0148635 is 477.12 g/mol.
Where can I buy A3508/0148635?
You can request a quote for A3508/0148635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3508/0148635?
Yes, KEHONG BIO provides custom synthesis services for A3508/0148635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.