BAS 00341095
TL;DR: BAS 00341095 (CAS 331236-35-2) is a chemical compound with molecular formula C16H15BrN6O2 and molecular weight 402.04 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-prop-2-enylpurine-2,6-dione
Also Known As: BAS 00341095, 4-bromobenzaldehyde (3-methyl-2,6-dioxo-7-prop-2-enyl-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione, 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, (E)-7-allyl-8-(2-(4-bromobenzylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H15BrN6O2 |
|---|---|
| Molecular Weight | 402.04 g/mol |
| LogP | 1.8178 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.04398 |
| Heavy Atoms | 25 |
| Complexity | 1074.9285 |
Chemical Identifiers
| CAS Number | 331236-35-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)Br)CC=C |
Product Overview
BAS 00341095 (CAS 331236-35-2), with molecular formula C16H15BrN6O2 and molecular weight 402.04 g/mol. IUPAC: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of BAS 00341095
Property Insights of BAS 00341095
The XLogP value of 1.8178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00341095. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00341095. Following Lipinski's Rule of Five, BAS 00341095 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 00341095?
The CAS number of BAS 00341095 is 331236-35-2.
What is the molecular formula of BAS 00341095?
The molecular formula of BAS 00341095 is C16H15BrN6O2.
What is the molecular weight of BAS 00341095?
The molecular weight of BAS 00341095 is 402.04 g/mol.
Where can I buy BAS 00341095?
You can request a quote for BAS 00341095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00341095?
Yes, KEHONG BIO provides custom synthesis services for BAS 00341095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.