ASN 06976813
TL;DR: ASN 06976813 (CAS 606122-63-8) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetate
Also Known As: ASN 06976813, [1]Benzothieno[2,3-d]pyrimidine-3(4H)-acetic acid, 5,6,7,8-tetrahydro-2-(4-methylphenyl)-4-oxo-, methyl ester (9CI), methyl 2-[2-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetate
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 3.48522 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 1047.5889 |
Chemical Identifiers
| CAS Number | 606122-63-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC(=O)OC |
Product Overview
ASN 06976813 (CAS 606122-63-8), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: methyl 2-[2-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetate.
Chemical Property Profile of ASN 06976813
Property Insights of ASN 06976813
The XLogP value of 3.48522 indicates that ASN 06976813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 06976813. Following Lipinski's Rule of Five, ASN 06976813 has 0 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 ASN 06976813?
The CAS number of ASN 06976813 is 606122-63-8.
What is the molecular formula of ASN 06976813?
The molecular formula of ASN 06976813 is C20H20N2O3S.
What is the molecular weight of ASN 06976813?
The molecular weight of ASN 06976813 is 368.12 g/mol.
Where can I buy ASN 06976813?
You can request a quote for ASN 06976813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 06976813?
Yes, KEHONG BIO provides custom synthesis services for ASN 06976813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.