UPCMLD0ENAT0513-6370:001
TL;DR: UPCMLD0ENAT0513-6370:001 (CAS 455898-05-2) is a chemical compound with molecular formula C19H17BrN2OS2 and molecular weight 432.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: UPCMLD0ENAT0513-6370:001, AF-399/40923123, 1-(4-bromophenyl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, F1174-3228, 1-(4-bromophenyl)-2-((7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone
| Molecular Formula | C19H17BrN2OS2 |
|---|---|
| Molecular Weight | 432.00 g/mol |
| LogP | 5.5536 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.99658 |
| Heavy Atoms | 25 |
| Complexity | 936.49713 |
Chemical Identifiers
| CAS Number | 455898-05-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=CC=C(C=C4)Br |
Product Overview
UPCMLD0ENAT0513-6370:001 (CAS 455898-05-2), with molecular formula C19H17BrN2OS2 and molecular weight 432.00 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of UPCMLD0ENAT0513-6370:001
Property Insights of UPCMLD0ENAT0513-6370:001
The XLogP value of 5.5536 indicates that UPCMLD0ENAT0513-6370:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, UPCMLD0ENAT0513-6370:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6370:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-6370:001?
The CAS number of UPCMLD0ENAT0513-6370:001 is 455898-05-2.
What is the molecular formula of UPCMLD0ENAT0513-6370:001?
The molecular formula of UPCMLD0ENAT0513-6370:001 is C19H17BrN2OS2.
What is the molecular weight of UPCMLD0ENAT0513-6370:001?
The molecular weight of UPCMLD0ENAT0513-6370:001 is 432.00 g/mol.
Where can I buy UPCMLD0ENAT0513-6370:001?
You can request a quote for UPCMLD0ENAT0513-6370:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6370:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6370:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.