UPCMLD0ENAT0513-5172:001
TL;DR: UPCMLD0ENAT0513-5172:001 (CAS 379237-63-5) is a chemical compound with molecular formula C18H17ClN2S2 and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: UPCMLD0ENAT0513-5172:001, 4-chlorobenzyl 2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide, AF-399/40827802, 4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-[(4-chlorophenyl)methylthio]-2-methyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[2, 3-d]pyrimidine
| Molecular Formula | C18H17ClN2S2 |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 5.82422 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.05215 |
| Heavy Atoms | 23 |
| Complexity | 855.5792 |
Chemical Identifiers
| CAS Number | 379237-63-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC4=CC=C(C=C4)Cl |
Product Overview
UPCMLD0ENAT0513-5172:001 (CAS 379237-63-5), with molecular formula C18H17ClN2S2 and molecular weight 360.05 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of UPCMLD0ENAT0513-5172:001
Property Insights of UPCMLD0ENAT0513-5172:001
The XLogP value of 5.82422 indicates that UPCMLD0ENAT0513-5172:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, UPCMLD0ENAT0513-5172:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-5172:001 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 UPCMLD0ENAT0513-5172:001?
The CAS number of UPCMLD0ENAT0513-5172:001 is 379237-63-5.
What is the molecular formula of UPCMLD0ENAT0513-5172:001?
The molecular formula of UPCMLD0ENAT0513-5172:001 is C18H17ClN2S2.
What is the molecular weight of UPCMLD0ENAT0513-5172:001?
The molecular weight of UPCMLD0ENAT0513-5172:001 is 360.05 g/mol.
Where can I buy UPCMLD0ENAT0513-5172:001?
You can request a quote for UPCMLD0ENAT0513-5172:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-5172:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-5172:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.