C35H27NO9S
TL;DR: C35H27NO9S (CAS 132413-50-4) is a chemical compound with molecular formula C35H27NO9S and molecular weight 637.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl)methyl benzoate
Also Known As: 2,3,4,6-Tetra-O-benzoyl-b-D-glucopyranosyl isothiocyanate, (3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl)methyl benzoate, 2,3,4,6-Tetra-O-benzoyl-beta-D-glucopyranosyl isothiocyanate, (3,4,5-tribenzoyloxy-6-isothiocyanato-tetrahydropyran-2-yl)methyl benzoate, [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl]methyl benzoate
| Molecular Formula | C35H27NO9S |
|---|---|
| Molecular Weight | 637.14 g/mol |
| LogP | 5.3479 |
| Topological Polar Surface Area | 126.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 637.1406 |
| Heavy Atoms | 46 |
| Complexity | 1697.5695 |
Chemical Identifiers
| CAS Number | 132413-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)N=C=S)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
Product Overview
C35H27NO9S (CAS 132413-50-4), with molecular formula C35H27NO9S and molecular weight 637.14 g/mol. IUPAC: (3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl)methyl benzoate.
Chemical Property Profile of C35H27NO9S
Property Insights of C35H27NO9S
The XLogP value of 5.3479 indicates that C35H27NO9S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.79 Ų falls within the moderate polarity range, balancing permeability and solubility for C35H27NO9S. Following Lipinski's Rule of Five, C35H27NO9S has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C35H27NO9S?
The CAS number of C35H27NO9S is 132413-50-4.
What is the molecular formula of C35H27NO9S?
The molecular formula of C35H27NO9S is C35H27NO9S.
What is the molecular weight of C35H27NO9S?
The molecular weight of C35H27NO9S is 637.14 g/mol.
Where can I buy C35H27NO9S?
You can request a quote for C35H27NO9S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C35H27NO9S?
Yes, KEHONG BIO provides custom synthesis services for C35H27NO9S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.