RefChem:1083023
TL;DR: RefChem:1083023 (CAS 83975-89-7) is a chemical compound with molecular formula C34H43ClFNO7S and molecular weight 663.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-(8-chloro-2-fluoro-6H-benzo[b][4,1]benzoxathiepin-6-yl)piperidin-1-yl]ethyl decanoate
Also Known As: Decanoic acid, 2-(4-(2-chloro-7-fluoro-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-1-piperidinyl)ethyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-[4-(8-chloro-2-fluoro-6H-benzo[b][4,1]benzoxathiepin-6-yl)piperidin-1-yl]ethyl decanoate, RefChem:1083023
| Molecular Formula | C34H43ClFNO7S |
|---|---|
| Molecular Weight | 663.24 g/mol |
| LogP | 8.1715 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 663.2433 |
| Heavy Atoms | 45 |
| Complexity | 1283.3027 |
Chemical Identifiers
| CAS Number | 83975-89-7 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCCN1CCC(CC1)C2C3=C(C=CC(=C3)Cl)SC4=C(O2)C=CC(=C4)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1083023 (CAS 83975-89-7), with molecular formula C34H43ClFNO7S and molecular weight 663.24 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(8-chloro-2-fluoro-6H-benzo[b][4,1]benzoxathiepin-6-yl)piperidin-1-yl]ethyl decanoate.
Chemical Property Profile of RefChem:1083023
Property Insights of RefChem:1083023
The XLogP value of 8.1715 indicates that RefChem:1083023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083023. Following Lipinski's Rule of Five, RefChem:1083023 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1083023?
The CAS number of RefChem:1083023 is 83975-89-7.
What is the molecular formula of RefChem:1083023?
The molecular formula of RefChem:1083023 is C34H43ClFNO7S.
What is the molecular weight of RefChem:1083023?
The molecular weight of RefChem:1083023 is 663.24 g/mol.
Where can I buy RefChem:1083023?
You can request a quote for RefChem:1083023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083023?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.