UPCMLD0ENAT5747902:001
TL;DR: UPCMLD0ENAT5747902:001 (CAS 683796-87-4) is a chemical compound with molecular formula C22H25FN4OS and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: UPCMLD0ENAT5747902:001, 4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 4-[4-(5-FLUORO-2-METHOXYBENZYL)-1-PIPERAZINYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE, 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C22H25FN4OS |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 4.04 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1733 |
| Heavy Atoms | 29 |
| Complexity | 1029.0693 |
Chemical Identifiers
| CAS Number | 683796-87-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)F)CN2CCN(CC2)C3=C4C5=C(CCCC5)SC4=NC=N3 |
Product Overview
UPCMLD0ENAT5747902:001 (CAS 683796-87-4), with molecular formula C22H25FN4OS and molecular weight 412.17 g/mol. IUPAC: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of UPCMLD0ENAT5747902:001
Property Insights of UPCMLD0ENAT5747902:001
The XLogP value of 4.04 indicates that UPCMLD0ENAT5747902:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, UPCMLD0ENAT5747902:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747902:001 has 0 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5747902:001?
The CAS number of UPCMLD0ENAT5747902:001 is 683796-87-4.
What is the molecular formula of UPCMLD0ENAT5747902:001?
The molecular formula of UPCMLD0ENAT5747902:001 is C22H25FN4OS.
What is the molecular weight of UPCMLD0ENAT5747902:001?
The molecular weight of UPCMLD0ENAT5747902:001 is 412.17 g/mol.
Where can I buy UPCMLD0ENAT5747902:001?
You can request a quote for UPCMLD0ENAT5747902:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747902:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747902:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.