ChemDiv3_014110
TL;DR: ChemDiv3_014110 (CAS 727386-02-9) is a chemical compound with molecular formula C13H13N3O3S2 and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Also Known As: ChemDiv3_014110, IDI1_029908, AP-853/43261157, 7-amino-3-[(phenylsulfonyl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 7-amino-3-((phenylsulfonyl)methyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
| Molecular Formula | C13H13N3O3S2 |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 0.9462 |
| Topological Polar Surface Area | 95.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.03983 |
| Heavy Atoms | 21 |
| Complexity | 831.48517 |
Chemical Identifiers
| CAS Number | 727386-02-9 |
|---|---|
| SMILES | C1C(N2C(=O)C=C(N=C2S1)N)CS(=O)(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv3_014110 (CAS 727386-02-9), with molecular formula C13H13N3O3S2 and molecular weight 323.04 g/mol. IUPAC: 7-amino-3-(benzenesulfonylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of ChemDiv3_014110
Property Insights of ChemDiv3_014110
The XLogP value of 0.9462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_014110. The TPSA of 95.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014110. Following Lipinski's Rule of Five, ChemDiv3_014110 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_014110?
The CAS number of ChemDiv3_014110 is 727386-02-9.
What is the molecular formula of ChemDiv3_014110?
The molecular formula of ChemDiv3_014110 is C13H13N3O3S2.
What is the molecular weight of ChemDiv3_014110?
The molecular weight of ChemDiv3_014110 is 323.04 g/mol.
Where can I buy ChemDiv3_014110?
You can request a quote for ChemDiv3_014110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.