UPCMLD0ENAT5890399:001
TL;DR: UPCMLD0ENAT5890399:001 (CAS 727689-87-4) is a chemical compound with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5890399:001, F3394-1267, 5-(benzylsulfanyl)-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-benzylsulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-(benzylthio)-7-methyl-9-thia-1,3-diaza-5,6,7,8-tetrahydro-4(3H)-fluorenone
| Molecular Formula | C21H22N2OS2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 5.0611 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.11737 |
| Heavy Atoms | 26 |
| Complexity | 1004.26324 |
Chemical Identifiers
| CAS Number | 727689-87-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)CC=C |
Product Overview
UPCMLD0ENAT5890399:001 (CAS 727689-87-4), with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol. IUPAC: 2-benzylsulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5890399:001
Property Insights of UPCMLD0ENAT5890399:001
The XLogP value of 5.0611 indicates that UPCMLD0ENAT5890399:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, UPCMLD0ENAT5890399:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5890399:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5890399:001?
The CAS number of UPCMLD0ENAT5890399:001 is 727689-87-4.
What is the molecular formula of UPCMLD0ENAT5890399:001?
The molecular formula of UPCMLD0ENAT5890399:001 is C21H22N2OS2.
What is the molecular weight of UPCMLD0ENAT5890399:001?
The molecular weight of UPCMLD0ENAT5890399:001 is 382.12 g/mol.
Where can I buy UPCMLD0ENAT5890399:001?
You can request a quote for UPCMLD0ENAT5890399:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890399:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890399:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.