UPCMLD0ENAT5298001:001
TL;DR: UPCMLD0ENAT5298001:001 (CAS 438030-39-8) is a chemical compound with molecular formula C22H26N2OS2 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-(2-methylbutan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5298001:001, 4-Benzyl-11-(2-methylbutan-2-yl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 3-Benzyl-7-(1,1-dimethyl-propyl)-2-mercapto-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one, 3-Benzyl-2-mercapto-7-(tert-pentyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one, 3-benzyl-7-(2-methylbutan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H26N2OS2 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 5.70999 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.14865 |
| Heavy Atoms | 27 |
| Complexity | 1089.1836 |
Chemical Identifiers
| CAS Number | 438030-39-8 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5298001:001 (CAS 438030-39-8), with molecular formula C22H26N2OS2 and molecular weight 398.15 g/mol. IUPAC: 3-benzyl-7-(2-methylbutan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5298001:001
Property Insights of UPCMLD0ENAT5298001:001
The XLogP value of 5.70999 indicates that UPCMLD0ENAT5298001:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, UPCMLD0ENAT5298001:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5298001:001 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5298001:001?
The CAS number of UPCMLD0ENAT5298001:001 is 438030-39-8.
What is the molecular formula of UPCMLD0ENAT5298001:001?
The molecular formula of UPCMLD0ENAT5298001:001 is C22H26N2OS2.
What is the molecular weight of UPCMLD0ENAT5298001:001?
The molecular weight of UPCMLD0ENAT5298001:001 is 398.15 g/mol.
Where can I buy UPCMLD0ENAT5298001:001?
You can request a quote for UPCMLD0ENAT5298001:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5298001:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5298001:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.