XIAP antagonist 1
TL;DR: XIAP antagonist 1 (CAS 375835-04-4) is a chemical compound with molecular formula C23H25ClN4O3 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-chloro-1H-indole-2-carboxylate
Also Known As: XIAP antagonist 1, EX-A11326, Methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-chloro-1H-indole-2-carboxylate, methyl 3-(2-(4-benzylpiperazin-1-yl)acetamido)-5-chloro-1H-indole-2-carboxylate, methyl 3-{[(4-benzylpiperazin-1-yl)acetyl]amino}-5-chloro-1H-indole-2-carboxylate
| Molecular Formula | C23H25ClN4O3 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 3.3642 |
| Topological Polar Surface Area | 77.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.16153 |
| Heavy Atoms | 31 |
| Complexity | 1075.12 |
Chemical Identifiers
| CAS Number | 375835-04-4 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
XIAP antagonist 1 (CAS 375835-04-4), with molecular formula C23H25ClN4O3 and molecular weight 440.16 g/mol. IUPAC: methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-chloro-1H-indole-2-carboxylate.
Chemical Property Profile of XIAP antagonist 1
Property Insights of XIAP antagonist 1
The XLogP value of 3.3642 indicates that XIAP antagonist 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.67 Ų falls within the moderate polarity range, balancing permeability and solubility for XIAP antagonist 1. Following Lipinski's Rule of Five, XIAP antagonist 1 has 2 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 XIAP antagonist 1?
The CAS number of XIAP antagonist 1 is 375835-04-4.
What is the molecular formula of XIAP antagonist 1?
The molecular formula of XIAP antagonist 1 is C23H25ClN4O3.
What is the molecular weight of XIAP antagonist 1?
The molecular weight of XIAP antagonist 1 is 440.16 g/mol.
Where can I buy XIAP antagonist 1?
You can request a quote for XIAP antagonist 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for XIAP antagonist 1?
Yes, KEHONG BIO provides custom synthesis services for XIAP antagonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.