A3643/0154651
TL;DR: A3643/0154651 (CAS 1005089-98-4) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-oxo-3-(3-propan-2-yloxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: A3643/0154651, benzyl 1-oxo-2-[3-(propan-2-yloxy)propyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, benzyl 2-(3-isopropoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, BENZYL 4-OXO-3-[3-(PROPAN-2-YLOXY)PROPYL]-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXYLATE
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 2.3269 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 761.45044 |
Chemical Identifiers
| CAS Number | 1005089-98-4 |
|---|---|
| SMILES | CC(C)OCCCN1CC23C=CC(O2)C(C3C1=O)C(=O)OCC4=CC=CC=C4 |
Product Overview
A3643/0154651 (CAS 1005089-98-4), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: benzyl 4-oxo-3-(3-propan-2-yloxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of A3643/0154651
Property Insights of A3643/0154651
The XLogP value of 2.3269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3643/0154651. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A3643/0154651. Following Lipinski's Rule of Five, A3643/0154651 has 0 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 A3643/0154651?
The CAS number of A3643/0154651 is 1005089-98-4.
What is the molecular formula of A3643/0154651?
The molecular formula of A3643/0154651 is C22H27NO5.
What is the molecular weight of A3643/0154651?
The molecular weight of A3643/0154651 is 385.19 g/mol.
Where can I buy A3643/0154651?
You can request a quote for A3643/0154651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3643/0154651?
Yes, KEHONG BIO provides custom synthesis services for A3643/0154651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.