EINECS 266-543-2
TL;DR: EINECS 266-543-2 (CAS 67014-91-9) is a chemical compound with molecular formula C27H32N2O7SSe and molecular weight 608.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: EINECS 266-543-2, 2-(2-((5,6-Dimethoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-3-ethyl-5-methoxybenzoxazolium, Benzoxazolium, 2-(2-((5,6-dimethoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-3-ethyl-5-methoxy-, hydroxide, inner salt, 2-[2-[[5,6-dimethoxy-3- -3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5-methoxybenzoxazolium, 3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate
| Molecular Formula | C27H32N2O7SSe |
|---|---|
| Molecular Weight | 608.11 g/mol |
| LogP | 3.6991 |
| Topological Polar Surface Area | 101.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 608.10956 |
| Heavy Atoms | 38 |
| Complexity | 1494.8093 |
Chemical Identifiers
| CAS Number | 67014-91-9 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=CC(=C(C=C2[Se]1)OC)OC)CCCS(=O)(=O)[O-])/C=C/3\N(C4=C(O3)C=CC(=C4)OC)CC |
Product Overview
EINECS 266-543-2 (CAS 67014-91-9), with molecular formula C27H32N2O7SSe and molecular weight 608.11 g/mol. IUPAC: 3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of EINECS 266-543-2
Property Insights of EINECS 266-543-2
The XLogP value of 3.6991 indicates that EINECS 266-543-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.24 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 266-543-2. Following Lipinski's Rule of Five, EINECS 266-543-2 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 266-543-2?
The CAS number of EINECS 266-543-2 is 67014-91-9.
What is the molecular formula of EINECS 266-543-2?
The molecular formula of EINECS 266-543-2 is C27H32N2O7SSe.
What is the molecular weight of EINECS 266-543-2?
The molecular weight of EINECS 266-543-2 is 608.11 g/mol.
Where can I buy EINECS 266-543-2?
You can request a quote for EINECS 266-543-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 266-543-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 266-543-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.