AB00401276-08
TL;DR: AB00401276-08 (CAS 1164501-23-8) is a chemical compound with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: AB00401276-08, (3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione, (3aR,6aS)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C21H18N2O7 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.1114 |
| Heavy Atoms | 30 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 1164501-23-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NO[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC5=C(C=C4)OCCO5)OC |
| InChIKey | NZWKEKMSNVGLRJ-MJGOQNOKSA-N |
Product Overview
AB00401276-08 (CAS 1164501-23-8), with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol. IUPAC: (3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of AB00401276-08
Property Insights of AB00401276-08
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00401276-08. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00401276-08. Following Lipinski's Rule of Five, AB00401276-08 has 0 hydrogen bond donor(s) and 8 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 AB00401276-08?
The CAS number of AB00401276-08 is 1164501-23-8.
What is the molecular formula of AB00401276-08?
The molecular formula of AB00401276-08 is C21H18N2O7.
What is the molecular weight of AB00401276-08?
The molecular weight of AB00401276-08 is 410.11 g/mol.
Where can I buy AB00401276-08?
You can request a quote for AB00401276-08 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00401276-08?
Yes, KEHONG BIO provides custom synthesis services for AB00401276-08 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.