UPCMLD0ENAT5698392:001
TL;DR: UPCMLD0ENAT5698392:001 (CAS 459416-26-3) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetate
Also Known As: UPCMLD0ENAT5698392:001, methyl (7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetate, methyl 2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetate, methyl 2-(7-methyl-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin -3-yl)acetate, methyl 2-(7-methyl-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 1.7558 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 731.82965 |
Chemical Identifiers
| CAS Number | 459416-26-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)OC |
Product Overview
UPCMLD0ENAT5698392:001 (CAS 459416-26-3), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: methyl 2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetate.
Chemical Property Profile of UPCMLD0ENAT5698392:001
Property Insights of UPCMLD0ENAT5698392:001
The XLogP value of 1.7558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5698392:001. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5698392:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5698392:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5698392:001?
The CAS number of UPCMLD0ENAT5698392:001 is 459416-26-3.
What is the molecular formula of UPCMLD0ENAT5698392:001?
The molecular formula of UPCMLD0ENAT5698392:001 is C14H16N2O3S.
What is the molecular weight of UPCMLD0ENAT5698392:001?
The molecular weight of UPCMLD0ENAT5698392:001 is 292.09 g/mol.
Where can I buy UPCMLD0ENAT5698392:001?
You can request a quote for UPCMLD0ENAT5698392:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5698392:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5698392:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.