UPCMLD0ENAT0506-4426:001
TL;DR: UPCMLD0ENAT0506-4426:001 (CAS 315684-91-4) is a chemical compound with molecular formula C21H24N2OS and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenoxy)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: UPCMLD0ENAT0506-4426:001, 4-(4-tert-butylphenoxy)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, AF-399/15335308, 4-(4-tert-butylphenoxy)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C21H24N2OS |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 5.96832 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.16095 |
| Heavy Atoms | 25 |
| Complexity | 919.7044 |
Chemical Identifiers
| CAS Number | 315684-91-4 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCCC3)SC2=N1)OC4=CC=C(C=C4)C(C)(C)C |
Product Overview
UPCMLD0ENAT0506-4426:001 (CAS 315684-91-4), with molecular formula C21H24N2OS and molecular weight 352.16 g/mol. IUPAC: 4-(4-tert-butylphenoxy)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of UPCMLD0ENAT0506-4426:001
Property Insights of UPCMLD0ENAT0506-4426:001
The XLogP value of 5.96832 indicates that UPCMLD0ENAT0506-4426:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, UPCMLD0ENAT0506-4426:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0506-4426:001 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 UPCMLD0ENAT0506-4426:001?
The CAS number of UPCMLD0ENAT0506-4426:001 is 315684-91-4.
What is the molecular formula of UPCMLD0ENAT0506-4426:001?
The molecular formula of UPCMLD0ENAT0506-4426:001 is C21H24N2OS.
What is the molecular weight of UPCMLD0ENAT0506-4426:001?
The molecular weight of UPCMLD0ENAT0506-4426:001 is 352.16 g/mol.
Where can I buy UPCMLD0ENAT0506-4426:001?
You can request a quote for UPCMLD0ENAT0506-4426:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0506-4426:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0506-4426:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.