AB00668131-01
TL;DR: AB00668131-01 (CAS 477239-73-9) is a chemical compound with molecular formula C24H22ClN5O and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
Also Known As: AB00668131-01, F0532-1234, 1-[7-(3-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide, 1-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide, 1-(7-(3-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
| Molecular Formula | C24H22ClN5O |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 4.4426 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.15128 |
| Heavy Atoms | 31 |
| Complexity | 1245.562 |
Chemical Identifiers
| CAS Number | 477239-73-9 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5 |
Product Overview
AB00668131-01 (CAS 477239-73-9), with molecular formula C24H22ClN5O and molecular weight 431.15 g/mol. IUPAC: 1-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.
Chemical Property Profile of AB00668131-01
Property Insights of AB00668131-01
The XLogP value of 4.4426 indicates that AB00668131-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668131-01. Following Lipinski's Rule of Five, AB00668131-01 has 1 hydrogen bond donor(s) and 4 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 AB00668131-01?
The CAS number of AB00668131-01 is 477239-73-9.
What is the molecular formula of AB00668131-01?
The molecular formula of AB00668131-01 is C24H22ClN5O.
What is the molecular weight of AB00668131-01?
The molecular weight of AB00668131-01 is 431.15 g/mol.
Where can I buy AB00668131-01?
You can request a quote for AB00668131-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668131-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668131-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.