WV 805
TL;DR: WV 805 (CAS 16872-28-9) is a chemical compound with molecular formula C30H34N2O9S2 and molecular weight 630.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] pyridine-3-carboxylate;naphthalene-1,5-disulfonic acid
Also Known As: Carvacrol, 5-(2-(dimethylamino)ethoxy)-, nicotinate (ester), compd. with 1,5-naphthalenedisulfonic acid (1:1), [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] pyridine-3-carboxylate; naphthalene-1,5-disulfonic acid, [4-[2-(Dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] pyridine-3-carboxylate;naphthalene-1,5-disulfonic acid, Naphthalene-1,5-disulfonic acid--4-[2-(dimethylamino)ethoxy]-2-methyl-5-(propan-2-yl)phenyl pyridine-3-carboxylate (1/1), RefChem:388402
| Molecular Formula | C30H34N2O9S2 |
|---|---|
| Molecular Weight | 630.17 g/mol |
| LogP | 5.00622 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 630.1706 |
| Heavy Atoms | 43 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 16872-28-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C2=CN=CC=C2)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O |
| InChIKey | VOJVTXVKXNHCLF-UHFFFAOYSA-N |
Product Overview
WV 805 (CAS 16872-28-9), with molecular formula C30H34N2O9S2 and molecular weight 630.17 g/mol. IUPAC: [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] pyridine-3-carboxylate;naphthalene-1,5-disulfonic acid.
Chemical Property Profile of WV 805
Property Insights of WV 805
The XLogP value of 5.00622 indicates that WV 805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting WV 805 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WV 805 has 2 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 WV 805?
The CAS number of WV 805 is 16872-28-9.
What is the molecular formula of WV 805?
The molecular formula of WV 805 is C30H34N2O9S2.
What is the molecular weight of WV 805?
The molecular weight of WV 805 is 630.17 g/mol.
Where can I buy WV 805?
You can request a quote for WV 805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WV 805?
Yes, KEHONG BIO provides custom synthesis services for WV 805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.