RefChem:113037
TL;DR: RefChem:113037 (CAS 72275-96-8) is a chemical compound with molecular formula C30H13BrCl2O3S and molecular weight 601.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15E)-12-bromo-5-chloro-15-(3-chloro-10-oxoanthracen-9-ylidene)-14-oxo-14λ4-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaen-8-one
Also Known As: EINECS 276-561-2, Anthra(1,9-bc)thiopyran-7(2H)-one, 4(5 or 6)-bromo-9-chloro-2-(3-chloro-10-oxo-9(10H)-anthracenylidene)-, 3-oxide, 4(5or6)-bromo-9-chloro-2-(3-chloro-10-oxo-9(10H)-anthrylidene)anthra[1,9-bc]thiopyran-7(2H)-one, Anthra[1,9-bc]thiopyran-7(2H)-one, 4(5 or 6)-bromo-9-chloro-2-(3-chloro-10-oxo-9(10H)-anthracenylidene)-, 3-oxide, 4(5Or6)-bromo-9-chloro-2-(3-chloro-10-oxo-9(10H)-anthrylidene)anthra(1,9-bc)thiopyran-7(2H)-one
| Molecular Formula | C30H13BrCl2O3S |
|---|---|
| Molecular Weight | 601.91 g/mol |
| LogP | 7.8572 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 601.91455 |
| Heavy Atoms | 37 |
| Complexity | 1869.0789 |
Chemical Identifiers
| CAS Number | 72275-96-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C\3/C=C4C5=C(C=C(C=C5)Cl)C(=O)C6=C4C(=C(C=C6)Br)S3=O)/C7=C(C2=O)C=C(C=C7)Cl |
Product Overview
RefChem:113037 (CAS 72275-96-8), with molecular formula C30H13BrCl2O3S and molecular weight 601.91 g/mol. IUPAC: (15E)-12-bromo-5-chloro-15-(3-chloro-10-oxoanthracen-9-ylidene)-14-oxo-14λ4-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaen-8-one.
Chemical Property Profile of RefChem:113037
Property Insights of RefChem:113037
The XLogP value of 7.8572 indicates that RefChem:113037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, RefChem:113037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:113037 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:113037?
The CAS number of RefChem:113037 is 72275-96-8.
What is the molecular formula of RefChem:113037?
The molecular formula of RefChem:113037 is C30H13BrCl2O3S.
What is the molecular weight of RefChem:113037?
The molecular weight of RefChem:113037 is 601.91 g/mol.
Where can I buy RefChem:113037?
You can request a quote for RefChem:113037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:113037?
Yes, KEHONG BIO provides custom synthesis services for RefChem:113037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.