UPCMLD0ENAT5733442:001
TL;DR: UPCMLD0ENAT5733442:001 (CAS 685860-56-4) is a chemical compound with molecular formula C17H23N7O2S2 and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5733442:001, BAS 08333567, AB00410045-03, AB00410045-09, F0570-0082
| Molecular Formula | C17H23N7O2S2 |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.13547 |
| Heavy Atoms | 28 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 685860-56-4 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C |
| InChIKey | PEFPIHZNMYVTTK-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5733442:001 (CAS 685860-56-4), with molecular formula C17H23N7O2S2 and molecular weight 421.14 g/mol. IUPAC: 8-(azepan-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5733442:001
Property Insights of UPCMLD0ENAT5733442:001
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5733442:001. The TPSA of 150.0 Ų indicates high polarity, suggesting UPCMLD0ENAT5733442:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT5733442:001 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 UPCMLD0ENAT5733442:001?
The CAS number of UPCMLD0ENAT5733442:001 is 685860-56-4.
What is the molecular formula of UPCMLD0ENAT5733442:001?
The molecular formula of UPCMLD0ENAT5733442:001 is C17H23N7O2S2.
What is the molecular weight of UPCMLD0ENAT5733442:001?
The molecular weight of UPCMLD0ENAT5733442:001 is 421.14 g/mol.
Where can I buy UPCMLD0ENAT5733442:001?
You can request a quote for UPCMLD0ENAT5733442:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5733442:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5733442:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.