UPCMLD0ENAT0513-6717:001
TL;DR: UPCMLD0ENAT0513-6717:001 (CAS 330179-99-2) is a chemical compound with molecular formula C23H18Cl2N2OS2 and molecular weight 472.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0513-6717:001, 2-[(3,4-dichlorobenzyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, AJ-292/12676558, 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-((3,4-dichlorobenzyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H18Cl2N2OS2 |
|---|---|
| Molecular Weight | 472.02 g/mol |
| LogP | 6.9251 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.02377 |
| Heavy Atoms | 30 |
| Complexity | 1298.2949 |
Chemical Identifiers
| CAS Number | 330179-99-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC5=CC(=C(C=C5)Cl)Cl |
Product Overview
UPCMLD0ENAT0513-6717:001 (CAS 330179-99-2), with molecular formula C23H18Cl2N2OS2 and molecular weight 472.02 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT0513-6717:001
Property Insights of UPCMLD0ENAT0513-6717:001
The XLogP value of 6.9251 indicates that UPCMLD0ENAT0513-6717:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, UPCMLD0ENAT0513-6717:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-6717:001 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 UPCMLD0ENAT0513-6717:001?
The CAS number of UPCMLD0ENAT0513-6717:001 is 330179-99-2.
What is the molecular formula of UPCMLD0ENAT0513-6717:001?
The molecular formula of UPCMLD0ENAT0513-6717:001 is C23H18Cl2N2OS2.
What is the molecular weight of UPCMLD0ENAT0513-6717:001?
The molecular weight of UPCMLD0ENAT0513-6717:001 is 472.02 g/mol.
Where can I buy UPCMLD0ENAT0513-6717:001?
You can request a quote for UPCMLD0ENAT0513-6717:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-6717:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-6717:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.