UPCMLD0ENAT5829905:001
TL;DR: UPCMLD0ENAT5829905:001 (CAS 672914-29-3) is a chemical compound with molecular formula C22H26N8O2S2 and molecular weight 498.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5829905:001, 3-methyl-7-(3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propyl)-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione, 3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(4-phenylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 6-hydroxy-3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H26N8O2S2 |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.16202 |
| Heavy Atoms | 34 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 672914-29-3 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C |
| InChIKey | PASSSGCRHWJADT-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5829905:001 (CAS 672914-29-3), with molecular formula C22H26N8O2S2 and molecular weight 498.16 g/mol. IUPAC: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-(4-phenylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829905:001
Property Insights of UPCMLD0ENAT5829905:001
The XLogP value of 3.1 indicates that UPCMLD0ENAT5829905:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting UPCMLD0ENAT5829905:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT5829905:001 has 1 hydrogen bond donor(s) and 9 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 UPCMLD0ENAT5829905:001?
The CAS number of UPCMLD0ENAT5829905:001 is 672914-29-3.
What is the molecular formula of UPCMLD0ENAT5829905:001?
The molecular formula of UPCMLD0ENAT5829905:001 is C22H26N8O2S2.
What is the molecular weight of UPCMLD0ENAT5829905:001?
The molecular weight of UPCMLD0ENAT5829905:001 is 498.16 g/mol.
Where can I buy UPCMLD0ENAT5829905:001?
You can request a quote for UPCMLD0ENAT5829905:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829905:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829905:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.