AB00685429-01
TL;DR: AB00685429-01 (CAS 683784-46-5) is a chemical compound with molecular formula C16H13N5O3S and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole
Also Known As: AB00685429-01, F1001-0043, 2-[({5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-5-nitro-1,3-benzoxazole, 2-(((5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl)thio)-5-nitrobenzo[d]oxazole, 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole
| Molecular Formula | C16H13N5O3S |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 3.68784 |
| Topological Polar Surface Area | 99.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.0739 |
| Heavy Atoms | 25 |
| Complexity | 1117.8102 |
Chemical Identifiers
| CAS Number | 683784-46-5 |
|---|---|
| SMILES | CC1=CC(=NC2=NC(=CN12)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-])C |
Product Overview
AB00685429-01 (CAS 683784-46-5), with molecular formula C16H13N5O3S and molecular weight 355.07 g/mol. IUPAC: 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole.
Chemical Property Profile of AB00685429-01
Property Insights of AB00685429-01
The XLogP value of 3.68784 indicates that AB00685429-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685429-01. Following Lipinski's Rule of Five, AB00685429-01 has 0 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 AB00685429-01?
The CAS number of AB00685429-01 is 683784-46-5.
What is the molecular formula of AB00685429-01?
The molecular formula of AB00685429-01 is C16H13N5O3S.
What is the molecular weight of AB00685429-01?
The molecular weight of AB00685429-01 is 355.07 g/mol.
Where can I buy AB00685429-01?
You can request a quote for AB00685429-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685429-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685429-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.