BAS 07401735
TL;DR: BAS 07401735 (CAS 672920-99-9) is a chemical compound with molecular formula C20H22N6O3S and molecular weight 426.15 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]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 07401735, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione, 7-[3-(Benzooxazol-2-ylsulfanyl)-propyl]-3-methyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione, 7-(3-benzoxazol-2-ylthiopropyl)-3-methyl-8-pyrrolidinyl-1,3,7-trihydropurine-2 ,6-dione, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H22N6O3S |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.1474 |
| Heavy Atoms | 30 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 672920-99-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCCSC4=NC5=CC=CC=C5O4 |
| InChIKey | IRHAVPMKUGWQIE-UHFFFAOYSA-N |
Product Overview
BAS 07401735 (CAS 672920-99-9), with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol. IUPAC: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 07401735
Property Insights of BAS 07401735
The XLogP value of 3.0 indicates that BAS 07401735 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07401735. Following Lipinski's Rule of Five, BAS 07401735 has 1 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 07401735?
The CAS number of BAS 07401735 is 672920-99-9.
What is the molecular formula of BAS 07401735?
The molecular formula of BAS 07401735 is C20H22N6O3S.
What is the molecular weight of BAS 07401735?
The molecular weight of BAS 07401735 is 426.15 g/mol.
Where can I buy BAS 07401735?
You can request a quote for BAS 07401735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07401735?
Yes, KEHONG BIO provides custom synthesis services for BAS 07401735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.