BRD-K19966784-001-04-0
TL;DR: BRD-K19966784-001-04-0 (CAS 35973-88-7) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BRD-K19966784-001-04-0, 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-(4-Methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, [1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-(4-methoxyphenyl)-2-methyl-
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 35973-88-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)OC |
| InChIKey | ACLTZOJYQYEEIA-UHFFFAOYSA-N |
Product Overview
BRD-K19966784-001-04-0 (CAS 35973-88-7), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BRD-K19966784-001-04-0
Property Insights of BRD-K19966784-001-04-0
The XLogP value of 3.6 indicates that BRD-K19966784-001-04-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K19966784-001-04-0. Following Lipinski's Rule of Five, BRD-K19966784-001-04-0 has 0 hydrogen bond donor(s) and 4 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 BRD-K19966784-001-04-0?
The CAS number of BRD-K19966784-001-04-0 is 35973-88-7.
What is the molecular formula of BRD-K19966784-001-04-0?
The molecular formula of BRD-K19966784-001-04-0 is C18H18N2O2S.
What is the molecular weight of BRD-K19966784-001-04-0?
The molecular weight of BRD-K19966784-001-04-0 is 326.11 g/mol.
Where can I buy BRD-K19966784-001-04-0?
You can request a quote for BRD-K19966784-001-04-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K19966784-001-04-0?
Yes, KEHONG BIO provides custom synthesis services for BRD-K19966784-001-04-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.