A2222/0093595
TL;DR: A2222/0093595 (CAS 312949-78-3) is a chemical compound with molecular formula C28H31N3O2S and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-benzylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide
Also Known As: A2222/0093595, N-[3-(4-benzylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide, N-{3-[(4-benzyl-1-piperazinyl)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-3-methylbenzamide, (3-methylphenyl)-N-(3-{[4-benzylpiperazinyl]carbonyl}(4,5,6,7-tetrahydrobenzo[ b]thiophen-2-yl))carboxamide, N-{3-[(4-benzylpiperazin-1-yl)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3-methylbenzamide
| Molecular Formula | C28H31N3O2S |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 5.14562 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.21368 |
| Heavy Atoms | 34 |
| Complexity | 1179.6168 |
Chemical Identifiers
| CAS Number | 312949-78-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
A2222/0093595 (CAS 312949-78-3), with molecular formula C28H31N3O2S and molecular weight 473.21 g/mol. IUPAC: N-[3-(4-benzylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide.
Chemical Property Profile of A2222/0093595
Property Insights of A2222/0093595
The XLogP value of 5.14562 indicates that A2222/0093595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, A2222/0093595 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2222/0093595 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2222/0093595?
The CAS number of A2222/0093595 is 312949-78-3.
What is the molecular formula of A2222/0093595?
The molecular formula of A2222/0093595 is C28H31N3O2S.
What is the molecular weight of A2222/0093595?
The molecular weight of A2222/0093595 is 473.21 g/mol.
Where can I buy A2222/0093595?
You can request a quote for A2222/0093595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2222/0093595?
Yes, KEHONG BIO provides custom synthesis services for A2222/0093595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.