CBKinase1_010502
TL;DR: CBKinase1_010502 (CAS 827012-52-2) is a chemical compound with molecular formula C14H15N5O3S and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-methyl-7-oxo-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: CBKinase1_010502, CBKinase1_022902, BRD-K01421071-001-01-4, methyl {5-methyl-7-oxo-2-[(2-thienylmethyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate, methyl {7-hydroxy-5-methyl-2-[(thiophen-2-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
| Molecular Formula | C14H15N5O3S |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 1.11512 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.08957 |
| Heavy Atoms | 23 |
| Complexity | 897.1637 |
Chemical Identifiers
| CAS Number | 827012-52-2 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC=CS3)CC(=O)OC |
Product Overview
CBKinase1_010502 (CAS 827012-52-2), with molecular formula C14H15N5O3S and molecular weight 333.09 g/mol. IUPAC: methyl 2-[5-methyl-7-oxo-2-(thiophen-2-ylmethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of CBKinase1_010502
Property Insights of CBKinase1_010502
The XLogP value of 1.11512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010502. The TPSA of 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010502. Following Lipinski's Rule of Five, CBKinase1_010502 has 2 hydrogen bond donor(s) and 7 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 CBKinase1_010502?
The CAS number of CBKinase1_010502 is 827012-52-2.
What is the molecular formula of CBKinase1_010502?
The molecular formula of CBKinase1_010502 is C14H15N5O3S.
What is the molecular weight of CBKinase1_010502?
The molecular weight of CBKinase1_010502 is 333.09 g/mol.
Where can I buy CBKinase1_010502?
You can request a quote for CBKinase1_010502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010502?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.