UPCMLD0ENAT5835049:001
TL;DR: UPCMLD0ENAT5835049:001 (CAS 685860-54-2) is a chemical compound with molecular formula C15H19N7O3S2 and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5835049:001, 3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-8-morpholino-1H-purine-2,6(3H,7H)-dione, AB00668500-01, F0570-0075, 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-ylpurine-2,6-dione
| Molecular Formula | C15H19N7O3S2 |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 0.21212 |
| Topological Polar Surface Area | 110.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.0991 |
| Heavy Atoms | 27 |
| Complexity | 1077.4409 |
Chemical Identifiers
| CAS Number | 685860-54-2 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C |
Product Overview
UPCMLD0ENAT5835049:001 (CAS 685860-54-2), with molecular formula C15H19N7O3S2 and molecular weight 409.10 g/mol. IUPAC: 3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5835049:001
Property Insights of UPCMLD0ENAT5835049:001
The XLogP value of 0.21212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5835049:001. The TPSA of 110.93 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5835049:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5835049:001 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 UPCMLD0ENAT5835049:001?
The CAS number of UPCMLD0ENAT5835049:001 is 685860-54-2.
What is the molecular formula of UPCMLD0ENAT5835049:001?
The molecular formula of UPCMLD0ENAT5835049:001 is C15H19N7O3S2.
What is the molecular weight of UPCMLD0ENAT5835049:001?
The molecular weight of UPCMLD0ENAT5835049:001 is 409.10 g/mol.
Where can I buy UPCMLD0ENAT5835049:001?
You can request a quote for UPCMLD0ENAT5835049:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835049:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835049:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.