![3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one structure](/static/products/856/85639-01-6.png)
3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
TL;DR: 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (CAS 85639-01-6) is a chemical compound with molecular formula C34H33ClN2O3 and molecular weight 552.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-anilino-3'-chloro-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, 9'-[9h]xanthen]-3-one,3'-chloro-6'-2'-spiro[isobenzofuran-1, 2'-anilino-3'-chloro-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2'-anilino-3'-chloro-6'-(dibutylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one, 3'-chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
| Molecular Formula | C34H33ClN2O3 |
|---|---|
| Molecular Weight | 552.22 g/mol |
| LogP | 9.0582 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.21796 |
| Heavy Atoms | 40 |
| Complexity | 1546.5743 |
Chemical Identifiers
| CAS Number | 85639-01-6 |
|---|---|
| SMILES | CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)Cl)NC6=CC=CC=C6 |
Product Overview
3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (CAS 85639-01-6), with molecular formula C34H33ClN2O3 and molecular weight 552.22 g/mol. IUPAC: 2'-anilino-3'-chloro-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
Property Insights of 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
The XLogP value of 9.0582 indicates that 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one?
The CAS number of 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one is 85639-01-6.
What is the molecular formula of 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one?
The molecular formula of 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one is C34H33ClN2O3.
What is the molecular weight of 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one?
The molecular weight of 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one is 552.22 g/mol.
Where can I buy 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one?
You can request a quote for 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-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'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one?
Yes, KEHONG BIO provides custom synthesis services for 3'-Chloro-6'-(dibutylamino)-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.