AB00120000-01
TL;DR: AB00120000-01 (CAS 384359-23-3) is a chemical compound with molecular formula C16H22N2O3S and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-4-oxospiro[1,3-dihydrothieno[3,4-d]pyrimidine-2,1'-cycloheptane]-7-carboxylate
Also Known As: AB00120000-01, ethyl 5'-methyl-4'-oxo-3',4'-dihydro-1'H-spiro[cycloheptane-1,2'-thieno[3,4-d]pyrimidine]-7'-carboxylate, ethyl 5-methyl-4-oxospiro[1,3-dihydrothieno[3,4-d]pyrimidine-2,1'-cycloheptane]-7-carboxylate
| Molecular Formula | C16H22N2O3S |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 3.43902 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.1351 |
| Heavy Atoms | 22 |
| Complexity | 600.7772 |
Chemical Identifiers
| CAS Number | 384359-23-3 |
|---|---|
| SMILES | CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC3(N2)CCCCCC3 |
Product Overview
AB00120000-01 (CAS 384359-23-3), with molecular formula C16H22N2O3S and molecular weight 322.14 g/mol. IUPAC: ethyl 5-methyl-4-oxospiro[1,3-dihydrothieno[3,4-d]pyrimidine-2,1'-cycloheptane]-7-carboxylate.
Chemical Property Profile of AB00120000-01
Property Insights of AB00120000-01
The XLogP value of 3.43902 indicates that AB00120000-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00120000-01. Following Lipinski's Rule of Five, AB00120000-01 has 2 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 AB00120000-01?
The CAS number of AB00120000-01 is 384359-23-3.
What is the molecular formula of AB00120000-01?
The molecular formula of AB00120000-01 is C16H22N2O3S.
What is the molecular weight of AB00120000-01?
The molecular weight of AB00120000-01 is 322.14 g/mol.
Where can I buy AB00120000-01?
You can request a quote for AB00120000-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00120000-01?
Yes, KEHONG BIO provides custom synthesis services for AB00120000-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.