BAS 00383908
TL;DR: BAS 00383908 (CAS 331658-99-2) is a chemical compound with molecular formula C22H29BrN6O2 and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione
Also Known As: BAS 00383908, 4-bromobenzaldehyde (3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione, 8-{[(1E)-2-(4-bromophenyl)-1-azavinyl]amino}-3-methyl-7-nonyl-1,3,7-trihydropu rine-2,6-dione
| Molecular Formula | C22H29BrN6O2 |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 4.3824 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 488.15353 |
| Heavy Atoms | 31 |
| Complexity | 1143.748 |
Chemical Identifiers
| CAS Number | 331658-99-2 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C |
Product Overview
BAS 00383908 (CAS 331658-99-2), with molecular formula C22H29BrN6O2 and molecular weight 488.15 g/mol. IUPAC: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione.
Chemical Property Profile of BAS 00383908
Property Insights of BAS 00383908
The XLogP value of 4.3824 indicates that BAS 00383908 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00383908. Following Lipinski's Rule of Five, BAS 00383908 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 BAS 00383908?
The CAS number of BAS 00383908 is 331658-99-2.
What is the molecular formula of BAS 00383908?
The molecular formula of BAS 00383908 is C22H29BrN6O2.
What is the molecular weight of BAS 00383908?
The molecular weight of BAS 00383908 is 488.15 g/mol.
Where can I buy BAS 00383908?
You can request a quote for BAS 00383908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00383908?
Yes, KEHONG BIO provides custom synthesis services for BAS 00383908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.