UPCMLD0ENAT5829972:001
TL;DR: UPCMLD0ENAT5829972:001 (CAS 685860-76-8) is a chemical compound with molecular formula C16H21N7O3S2 and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5829972:001, 1,3-dimethyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-8-morpholino-1H-purine-2,6(3H,7H)-dione, VU0488512-1, AB00668550-01, F0570-0362
| Molecular Formula | C16H21N7O3S2 |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 0.22252 |
| Topological Polar Surface Area | 100.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.11472 |
| Heavy Atoms | 28 |
| Complexity | 1123.8887 |
Chemical Identifiers
| CAS Number | 685860-76-8 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5829972:001 (CAS 685860-76-8), with molecular formula C16H21N7O3S2 and molecular weight 423.11 g/mol. IUPAC: 1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829972:001
Property Insights of UPCMLD0ENAT5829972:001
The XLogP value of 0.22252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829972:001. The TPSA of 100.07 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829972:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829972:001 has 0 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 UPCMLD0ENAT5829972:001?
The CAS number of UPCMLD0ENAT5829972:001 is 685860-76-8.
What is the molecular formula of UPCMLD0ENAT5829972:001?
The molecular formula of UPCMLD0ENAT5829972:001 is C16H21N7O3S2.
What is the molecular weight of UPCMLD0ENAT5829972:001?
The molecular weight of UPCMLD0ENAT5829972:001 is 423.11 g/mol.
Where can I buy UPCMLD0ENAT5829972:001?
You can request a quote for UPCMLD0ENAT5829972:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829972:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829972:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.