AB00119142-01
TL;DR: AB00119142-01 (CAS 431986-15-1) is a chemical compound with molecular formula C27H34N4O4 and molecular weight 478.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(furan-2-yl)methanone
Also Known As: AB00119142-01, A2963/0124819, [4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(furan-2-yl)methanone, N-[1-(ADAMANTAN-1-YL)ETHYL]-5-[4-(FURAN-2-CARBONYL)PIPERAZIN-1-YL]-2-NITROANILINE, furan-2-yl[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
| Molecular Formula | C27H34N4O4 |
|---|---|
| Molecular Weight | 478.26 g/mol |
| LogP | 5.167 |
| Topological Polar Surface Area | 91.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.258 |
| Heavy Atoms | 35 |
| Complexity | 1071.1052 |
Chemical Identifiers
| CAS Number | 431986-15-1 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CO6)[N+](=O)[O-] |
Product Overview
AB00119142-01 (CAS 431986-15-1), with molecular formula C27H34N4O4 and molecular weight 478.26 g/mol. IUPAC: [4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(furan-2-yl)methanone.
Chemical Property Profile of AB00119142-01
Property Insights of AB00119142-01
The XLogP value of 5.167 indicates that AB00119142-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00119142-01. Following Lipinski's Rule of Five, AB00119142-01 has 1 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 AB00119142-01?
The CAS number of AB00119142-01 is 431986-15-1.
What is the molecular formula of AB00119142-01?
The molecular formula of AB00119142-01 is C27H34N4O4.
What is the molecular weight of AB00119142-01?
The molecular weight of AB00119142-01 is 478.26 g/mol.
Where can I buy AB00119142-01?
You can request a quote for AB00119142-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00119142-01?
Yes, KEHONG BIO provides custom synthesis services for AB00119142-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.