UPCMLD0ENAT5748003:001
TL;DR: UPCMLD0ENAT5748003:001 (CAS 384366-72-7) is a chemical compound with molecular formula C21H22Cl2N4O2S2 and molecular weight 496.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: UPCMLD0ENAT5748003:001, AF-399/41048218, 4-{4-[(3,4-dichlorophenyl)sulfonyl]piperazin-1-yl}-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, F1126-0692, 4-(4-((3,4-dichlorophenyl)sulfonyl)piperazin-1-yl)-6-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C21H22Cl2N4O2S2 |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | 4.6338 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.05612 |
| Heavy Atoms | 31 |
| Complexity | 1253.7434 |
Chemical Identifiers
| CAS Number | 384366-72-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl |
Product Overview
UPCMLD0ENAT5748003:001 (CAS 384366-72-7), with molecular formula C21H22Cl2N4O2S2 and molecular weight 496.06 g/mol. IUPAC: 4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of UPCMLD0ENAT5748003:001
Property Insights of UPCMLD0ENAT5748003:001
The XLogP value of 4.6338 indicates that UPCMLD0ENAT5748003:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5748003:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5748003:001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5748003:001?
The CAS number of UPCMLD0ENAT5748003:001 is 384366-72-7.
What is the molecular formula of UPCMLD0ENAT5748003:001?
The molecular formula of UPCMLD0ENAT5748003:001 is C21H22Cl2N4O2S2.
What is the molecular weight of UPCMLD0ENAT5748003:001?
The molecular weight of UPCMLD0ENAT5748003:001 is 496.06 g/mol.
Where can I buy UPCMLD0ENAT5748003:001?
You can request a quote for UPCMLD0ENAT5748003:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5748003:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5748003:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.