UPCMLD0ENAT5829953:001
TL;DR: UPCMLD0ENAT5829953:001 (CAS 685860-63-3) is a chemical compound with molecular formula C19H21N7O2S2 and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5829953:001, BAS 08333569, 8-(benzyl(methyl)amino)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, AB00434702-04, AB00434702-10
| Molecular Formula | C19H21N7O2S2 |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 2.01192 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.1198 |
| Heavy Atoms | 30 |
| Complexity | 1289.9469 |
Chemical Identifiers
| CAS Number | 685860-63-3 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)NC3=O)C |
Product Overview
UPCMLD0ENAT5829953:001 (CAS 685860-63-3), with molecular formula C19H21N7O2S2 and molecular weight 443.12 g/mol. IUPAC: 8-[benzyl(methyl)amino]-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829953:001
Property Insights of UPCMLD0ENAT5829953:001
The XLogP value of 2.01192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829953:001. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829953:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829953:001 has 1 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5829953:001?
The CAS number of UPCMLD0ENAT5829953:001 is 685860-63-3.
What is the molecular formula of UPCMLD0ENAT5829953:001?
The molecular formula of UPCMLD0ENAT5829953:001 is C19H21N7O2S2.
What is the molecular weight of UPCMLD0ENAT5829953:001?
The molecular weight of UPCMLD0ENAT5829953:001 is 443.12 g/mol.
Where can I buy UPCMLD0ENAT5829953:001?
You can request a quote for UPCMLD0ENAT5829953:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829953:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829953:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.