BAS 00363958
TL;DR: BAS 00363958 (CAS 313230-40-9) is a chemical compound with molecular formula C22H29N5O5 and molecular weight 443.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00363958, AB00094180-01, AB00094180-02, 8-(azepan-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione, 8-(1-azepanyl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H29N5O5 |
|---|---|
| Molecular Weight | 443.22 g/mol |
| LogP | 1.2522 |
| Topological Polar Surface Area | 114.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.21686 |
| Heavy Atoms | 32 |
| Complexity | 1172.3702 |
Chemical Identifiers
| CAS Number | 313230-40-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(COC4=CC=C(C=C4)OC)O |
Product Overview
BAS 00363958 (CAS 313230-40-9), with molecular formula C22H29N5O5 and molecular weight 443.22 g/mol. IUPAC: 8-(azepan-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00363958
Property Insights of BAS 00363958
The XLogP value of 1.2522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00363958. The TPSA of 114.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00363958. Following Lipinski's Rule of Five, BAS 00363958 has 2 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 00363958?
The CAS number of BAS 00363958 is 313230-40-9.
What is the molecular formula of BAS 00363958?
The molecular formula of BAS 00363958 is C22H29N5O5.
What is the molecular weight of BAS 00363958?
The molecular weight of BAS 00363958 is 443.22 g/mol.
Where can I buy BAS 00363958?
You can request a quote for BAS 00363958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00363958?
Yes, KEHONG BIO provides custom synthesis services for BAS 00363958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.