VU0187282-5
TL;DR: VU0187282-5 (CAS 303972-91-0) is a chemical compound with molecular formula C16H14BrN5O3S and molecular weight 435.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-bromo-3-methylpurine-2,6-dione
Also Known As: VU0187282-5, 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-bromo-3-methylpurine-2,6-dione, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-bromo-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(3-benzoxazol-2-ylthiopropyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dion e
| Molecular Formula | C16H14BrN5O3S |
|---|---|
| Molecular Weight | 435.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.00006 |
| Heavy Atoms | 26 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 303972-91-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCSC3=NC4=CC=CC=C4O3 |
| InChIKey | MTLIIFUNGVOWSM-UHFFFAOYSA-N |
Product Overview
VU0187282-5 (CAS 303972-91-0), with molecular formula C16H14BrN5O3S and molecular weight 435.00 g/mol. IUPAC: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-bromo-3-methylpurine-2,6-dione.
Chemical Property Profile of VU0187282-5
Property Insights of VU0187282-5
The XLogP value of 3.1 indicates that VU0187282-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0187282-5. Following Lipinski's Rule of Five, VU0187282-5 has 1 hydrogen bond donor(s) and 6 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 VU0187282-5?
The CAS number of VU0187282-5 is 303972-91-0.
What is the molecular formula of VU0187282-5?
The molecular formula of VU0187282-5 is C16H14BrN5O3S.
What is the molecular weight of VU0187282-5?
The molecular weight of VU0187282-5 is 435.00 g/mol.
Where can I buy VU0187282-5?
You can request a quote for VU0187282-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0187282-5?
Yes, KEHONG BIO provides custom synthesis services for VU0187282-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.