UPCMLD0ENAT5747904:001
TL;DR: UPCMLD0ENAT5747904:001 (CAS 683796-88-5) is a chemical compound with molecular formula C21H22Cl2N4S and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: UPCMLD0ENAT5747904:001, G786-0943, 4-[4-(3,4-dichlorobenzyl)piperazin-1-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-(4-(3,4-dichlorobenzyl)piperazin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C21H22Cl2N4S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 5.1991 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.09424 |
| Heavy Atoms | 28 |
| Complexity | 1011.0534 |
Chemical Identifiers
| CAS Number | 683796-88-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCN(CC4)CC5=CC(=C(C=C5)Cl)Cl |
Product Overview
UPCMLD0ENAT5747904:001 (CAS 683796-88-5), with molecular formula C21H22Cl2N4S and molecular weight 432.09 g/mol. IUPAC: 4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of UPCMLD0ENAT5747904:001
Property Insights of UPCMLD0ENAT5747904:001
The XLogP value of 5.1991 indicates that UPCMLD0ENAT5747904:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, UPCMLD0ENAT5747904:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747904:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5747904:001?
The CAS number of UPCMLD0ENAT5747904:001 is 683796-88-5.
What is the molecular formula of UPCMLD0ENAT5747904:001?
The molecular formula of UPCMLD0ENAT5747904:001 is C21H22Cl2N4S.
What is the molecular weight of UPCMLD0ENAT5747904:001?
The molecular weight of UPCMLD0ENAT5747904:001 is 432.09 g/mol.
Where can I buy UPCMLD0ENAT5747904:001?
You can request a quote for UPCMLD0ENAT5747904:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747904:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747904:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.