BAS 01579919
TL;DR: BAS 01579919 (CAS 59898-77-0) is a chemical compound with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
Also Known As: BAS 01579919, {[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid, 2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid, 2-[[3,4,5,6,7,8-Hexahydro-3-(4-methylphenyl)-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetic acid, 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
| Molecular Formula | C19H18N2O3S2 |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 3.81112 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0759 |
| Heavy Atoms | 26 |
| Complexity | 1051.3169 |
Chemical Identifiers
| CAS Number | 59898-77-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)O)SC4=C3CCCC4 |
Product Overview
BAS 01579919 (CAS 59898-77-0), with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of BAS 01579919
Property Insights of BAS 01579919
The XLogP value of 3.81112 indicates that BAS 01579919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01579919. Following Lipinski's Rule of Five, BAS 01579919 has 1 hydrogen bond donor(s) and 5 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 01579919?
The CAS number of BAS 01579919 is 59898-77-0.
What is the molecular formula of BAS 01579919?
The molecular formula of BAS 01579919 is C19H18N2O3S2.
What is the molecular weight of BAS 01579919?
The molecular weight of BAS 01579919 is 386.08 g/mol.
Where can I buy BAS 01579919?
You can request a quote for BAS 01579919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01579919?
Yes, KEHONG BIO provides custom synthesis services for BAS 01579919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.