![(Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron structure](/static/products/855/85561-03-1.png)
(Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron
TL;DR: (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron (CAS 85561-03-1) is a chemical compound with molecular formula C17H15B2NO6S and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy(2-oxa-17-thia-10-azonia-1-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-1-yloxy)boranyl] acetate
Also Known As: (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron, [Acetyloxy(2-oxa-17-thia-10-azonia-1-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-1-yloxy)boranyl] acetate
| Molecular Formula | C17H15B2NO6S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 2.5111 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.08063 |
| Heavy Atoms | 27 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 85561-03-1 |
|---|---|
| SMILES | B(O[B-]12[N+](=CC3=CC=CC=C3O1)C4=CC=CC=C4S2)(OC(=O)C)OC(=O)C |
| InChIKey | RRMLCJWYLOMAIO-UHFFFAOYSA-N |
Product Overview
(Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron (CAS 85561-03-1), with molecular formula C17H15B2NO6S and molecular weight 383.08 g/mol. IUPAC: [acetyloxy(2-oxa-17-thia-10-azonia-1-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-1-yloxy)boranyl] acetate.
Chemical Property Profile of (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron
Property Insights of (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron
The XLogP value of 2.5111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron. Following Lipinski's Rule of Five, (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron 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 (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron?
The CAS number of (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron is 85561-03-1.
What is the molecular formula of (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron?
The molecular formula of (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron is C17H15B2NO6S.
What is the molecular weight of (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron?
The molecular weight of (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron is 383.08 g/mol.
Where can I buy (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron?
You can request a quote for (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron?
Yes, KEHONG BIO provides custom synthesis services for (Diacetyl hydrogenato-kappaO borate)[2-({[2-(sulfanyl-kappaS)phenyl]imino-kappaN}methyl)phenolato(2-)-kappaO]boron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.