UPCMLD0ENAT5843111:001
TL;DR: UPCMLD0ENAT5843111:001 (CAS 899362-62-0) is a chemical compound with molecular formula C12H13BrN6O2S2 and molecular weight 415.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5843111:001, F2582-0099, 8-bromo-3-methyl-7-(3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione, 8-bromo-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione, 8-bromo-3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C12H13BrN6O2S2 |
|---|---|
| Molecular Weight | 415.97 g/mol |
| LogP | 1.52812 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.97247 |
| Heavy Atoms | 23 |
| Complexity | 972.23047 |
Chemical Identifiers
| CAS Number | 899362-62-0 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C |
Product Overview
UPCMLD0ENAT5843111:001 (CAS 899362-62-0), with molecular formula C12H13BrN6O2S2 and molecular weight 415.97 g/mol. IUPAC: 8-bromo-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5843111:001
Property Insights of UPCMLD0ENAT5843111:001
The XLogP value of 1.52812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5843111:001. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5843111:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5843111:001 has 1 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5843111:001?
The CAS number of UPCMLD0ENAT5843111:001 is 899362-62-0.
What is the molecular formula of UPCMLD0ENAT5843111:001?
The molecular formula of UPCMLD0ENAT5843111:001 is C12H13BrN6O2S2.
What is the molecular weight of UPCMLD0ENAT5843111:001?
The molecular weight of UPCMLD0ENAT5843111:001 is 415.97 g/mol.
Where can I buy UPCMLD0ENAT5843111:001?
You can request a quote for UPCMLD0ENAT5843111:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5843111:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5843111:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.