BAS 00369294
TL;DR: BAS 00369294 (CAS 326018-60-4) is a chemical compound with molecular formula C19H29N5O4 and molecular weight 391.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate
Also Known As: BAS 00369294, F0053-0001, pentyl 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate, pentyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate, pentyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate
| Molecular Formula | C19H29N5O4 |
|---|---|
| Molecular Weight | 391.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.22195 |
| Heavy Atoms | 28 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 326018-60-4 |
|---|---|
| SMILES | CCCCCOC(=O)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C |
| InChIKey | IYEWZJQGAPOPBG-UHFFFAOYSA-N |
Product Overview
BAS 00369294 (CAS 326018-60-4), with molecular formula C19H29N5O4 and molecular weight 391.22 g/mol. IUPAC: pentyl 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of BAS 00369294
Property Insights of BAS 00369294
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00369294. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00369294. Following Lipinski's Rule of Five, BAS 00369294 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 BAS 00369294?
The CAS number of BAS 00369294 is 326018-60-4.
What is the molecular formula of BAS 00369294?
The molecular formula of BAS 00369294 is C19H29N5O4.
What is the molecular weight of BAS 00369294?
The molecular weight of BAS 00369294 is 391.22 g/mol.
Where can I buy BAS 00369294?
You can request a quote for BAS 00369294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00369294?
Yes, KEHONG BIO provides custom synthesis services for BAS 00369294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.