BAS 04453995
TL;DR: BAS 04453995 (CAS 307512-19-2) is a chemical compound with molecular formula C19H17FN2OS2 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: BAS 04453995, UPCMLD0ENAT0502-8599:001, 1-(4-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-(4-fluorophenyl)-2-(2-methyl(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrim idin-4-ylthio))ethan-1-one, 1-(4-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
| Molecular Formula | C19H17FN2OS2 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 4.99262 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.07663 |
| Heavy Atoms | 25 |
| Complexity | 950.20764 |
Chemical Identifiers
| CAS Number | 307512-19-2 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)C4=CC=C(C=C4)F |
Product Overview
BAS 04453995 (CAS 307512-19-2), with molecular formula C19H17FN2OS2 and molecular weight 372.08 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 04453995
Property Insights of BAS 04453995
The XLogP value of 4.99262 indicates that BAS 04453995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, BAS 04453995 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04453995 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 BAS 04453995?
The CAS number of BAS 04453995 is 307512-19-2.
What is the molecular formula of BAS 04453995?
The molecular formula of BAS 04453995 is C19H17FN2OS2.
What is the molecular weight of BAS 04453995?
The molecular weight of BAS 04453995 is 372.08 g/mol.
Where can I buy BAS 04453995?
You can request a quote for BAS 04453995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04453995?
Yes, KEHONG BIO provides custom synthesis services for BAS 04453995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.