BAS 15375029
TL;DR: BAS 15375029 (CAS 879071-87-1) is a chemical compound with molecular formula C20H20ClN5O5 and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 15375029, VU0512717-1, F3176-0185, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione
| Molecular Formula | C20H20ClN5O5 |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 1.7217 |
| Topological Polar Surface Area | 127.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.1153 |
| Heavy Atoms | 31 |
| Complexity | 1290.737 |
Chemical Identifiers
| CAS Number | 879071-87-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
BAS 15375029 (CAS 879071-87-1), with molecular formula C20H20ClN5O5 and molecular weight 445.12 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 15375029
Property Insights of BAS 15375029
The XLogP value of 1.7217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 15375029. The TPSA of 127.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 15375029. Following Lipinski's Rule of Five, BAS 15375029 has 3 hydrogen bond donor(s) and 7 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 15375029?
The CAS number of BAS 15375029 is 879071-87-1.
What is the molecular formula of BAS 15375029?
The molecular formula of BAS 15375029 is C20H20ClN5O5.
What is the molecular weight of BAS 15375029?
The molecular weight of BAS 15375029 is 445.12 g/mol.
Where can I buy BAS 15375029?
You can request a quote for BAS 15375029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 15375029?
Yes, KEHONG BIO provides custom synthesis services for BAS 15375029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.