AB01279537-01
TL;DR: AB01279537-01 (CAS 933204-63-8) is a chemical compound with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(pyridin-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
Also Known As: AB01279537-01, 4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-3-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one, F2725-0702, 4-((2-(azepan-1-yl)-2-oxoethyl)thio)-1-(pyridin-3-ylmethyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one, 4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(pyridin-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
| Molecular Formula | C21H26N4O2S |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 2.67 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.17764 |
| Heavy Atoms | 28 |
| Complexity | 889.26886 |
Chemical Identifiers
| CAS Number | 933204-63-8 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CN=CC=C4 |
Product Overview
AB01279537-01 (CAS 933204-63-8), with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol. IUPAC: 4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(pyridin-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
Chemical Property Profile of AB01279537-01
Property Insights of AB01279537-01
The XLogP value of 2.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01279537-01. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01279537-01. Following Lipinski's Rule of Five, AB01279537-01 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 AB01279537-01?
The CAS number of AB01279537-01 is 933204-63-8.
What is the molecular formula of AB01279537-01?
The molecular formula of AB01279537-01 is C21H26N4O2S.
What is the molecular weight of AB01279537-01?
The molecular weight of AB01279537-01 is 398.18 g/mol.
Where can I buy AB01279537-01?
You can request a quote for AB01279537-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01279537-01?
Yes, KEHONG BIO provides custom synthesis services for AB01279537-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.