AN-153/42153851
TL;DR: AN-153/42153851 (CAS 642419-67-8) is a chemical compound with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: AN-153/42153851, N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(4-{4-[(4-methylphenyl)carbonyl]piperazin-1-yl}phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-{4-[4-(4-methylbenzoyl)-1-piperazinyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-{4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C27H27N3O4 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 3.98092 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.20016 |
| Heavy Atoms | 34 |
| Complexity | 1183.502 |
Chemical Identifiers
| CAS Number | 642419-67-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
AN-153/42153851 (CAS 642419-67-8), with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol. IUPAC: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of AN-153/42153851
Property Insights of AN-153/42153851
The XLogP value of 3.98092 indicates that AN-153/42153851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-153/42153851. Following Lipinski's Rule of Five, AN-153/42153851 has 1 hydrogen bond donor(s) and 5 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 AN-153/42153851?
The CAS number of AN-153/42153851 is 642419-67-8.
What is the molecular formula of AN-153/42153851?
The molecular formula of AN-153/42153851 is C27H27N3O4.
What is the molecular weight of AN-153/42153851?
The molecular weight of AN-153/42153851 is 457.20 g/mol.
Where can I buy AN-153/42153851?
You can request a quote for AN-153/42153851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-153/42153851?
Yes, KEHONG BIO provides custom synthesis services for AN-153/42153851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.