BAS 04914734
TL;DR: BAS 04914734 (CAS 309937-29-9) is a chemical compound with molecular formula C19H18ClN5O3 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 04914734, UPCMLD0ENAT5732852:001, 7-(2-chlorobenzyl)-8-[(2-furylmethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-[(furan-2-ylmethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H18ClN5O3 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1098 |
| Heavy Atoms | 28 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 309937-29-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC=C4Cl |
| InChIKey | JXGCBUOXNFLDAK-UHFFFAOYSA-N |
Product Overview
BAS 04914734 (CAS 309937-29-9), with molecular formula C19H18ClN5O3 and molecular weight 399.11 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 04914734
Property Insights of BAS 04914734
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914734. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914734. Following Lipinski's Rule of Five, BAS 04914734 has 1 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 04914734?
The CAS number of BAS 04914734 is 309937-29-9.
What is the molecular formula of BAS 04914734?
The molecular formula of BAS 04914734 is C19H18ClN5O3.
What is the molecular weight of BAS 04914734?
The molecular weight of BAS 04914734 is 399.11 g/mol.
Where can I buy BAS 04914734?
You can request a quote for BAS 04914734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914734?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.