3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one
TL;DR: 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one (CAS 5334-10-1) is a chemical compound with molecular formula C28H19N3O5 and molecular weight 477.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-(diaminomethylideneamino)benzoate
Also Known As: 3-Hfgb, 3HFGB, 3'- spiro(isobenzofuran-1- ,9'-3-one, 3'- spiro(isobenzofuran-1- ,9'- -3-one, 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one
| Molecular Formula | C28H19N3O5 |
|---|---|
| Molecular Weight | 477.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.13248 |
| Heavy Atoms | 36 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 5334-10-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)OC(=O)C5=CC=C(C=C5)N=C(N)N)OC6=CC=CC=C36 |
| InChIKey | OVOWMQRABZWWPK-UHFFFAOYSA-N |
Product Overview
3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one (CAS 5334-10-1), with molecular formula C28H19N3O5 and molecular weight 477.13 g/mol. IUPAC: (3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-(diaminomethylideneamino)benzoate.
Chemical Property Profile of 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one
Property Insights of 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one
The XLogP value of 4.0 indicates that 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one. Following Lipinski's Rule of Five, 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one has 2 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 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one?
The CAS number of 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one is 5334-10-1.
What is the molecular formula of 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one?
The molecular formula of 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one is C28H19N3O5.
What is the molecular weight of 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one?
The molecular weight of 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one is 477.13 g/mol.
Where can I buy 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one?
You can request a quote for 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one?
Yes, KEHONG BIO provides custom synthesis services for 3'-(4-Guanidinobenzoyloxy)spiro(isobenzofuran-1-(3H),9'-(9H)xanthen)-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.