BAS 00571097
TL;DR: BAS 00571097 (CAS 300829-42-9) is a chemical compound with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: BAS 00571097, UPCMLD0ENAT0501-2452:001, AF-399/36690021, F0238-0334, 3-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene
| Molecular Formula | C19H19N3O3S2 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 4.95782 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.0868 |
| Heavy Atoms | 27 |
| Complexity | 1003.27374 |
Chemical Identifiers
| CAS Number | 300829-42-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])OCCSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
BAS 00571097 (CAS 300829-42-9), with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol. IUPAC: 4-[2-(5-methyl-2-nitrophenoxy)ethylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of BAS 00571097
Property Insights of BAS 00571097
The XLogP value of 4.95782 indicates that BAS 00571097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00571097. Following Lipinski's Rule of Five, BAS 00571097 has 0 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 00571097?
The CAS number of BAS 00571097 is 300829-42-9.
What is the molecular formula of BAS 00571097?
The molecular formula of BAS 00571097 is C19H19N3O3S2.
What is the molecular weight of BAS 00571097?
The molecular weight of BAS 00571097 is 401.09 g/mol.
Where can I buy BAS 00571097?
You can request a quote for BAS 00571097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00571097?
Yes, KEHONG BIO provides custom synthesis services for BAS 00571097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.