沃尼妙林
TL;DR: 沃尼妙林 (CAS 101312-92-9) is a chemical compound with molecular formula C31H52N2O5S and molecular weight 564.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
沃尼妙林
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[(2-amino-3-methylbutanoyl)amino]-2-methylpropan-2-yl]sulfanylacetate
Also Known As: Valnemulin, Econor, Valnemulin (INN), Valnemulin [INN], Valnemulin [INN:BAN]
| Molecular Formula | C31H52N2O5S |
|---|---|
| Molecular Weight | 564.36 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.3597 |
| Heavy Atoms | 39 |
| Complexity | 969.0 |
Chemical Identifiers
| CAS Number | 101312-92-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@](C[C@H]([C@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)(C)C=C)O |
| InChIKey | LLYYNOVSVPBRGV-NFQTWZMKSA-N |
Product Overview
沃尼妙林 (CAS 101312-92-9), with molecular formula C31H52N2O5S and molecular weight 564.36 g/mol. IUPAC: [(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[(2-amino-3-methylbutanoyl)amino]-2-methylpropan-2-yl]sulfanylacetate.
Chemical Property Profile of 沃尼妙林
Property Insights of 沃尼妙林
The XLogP value of 5.3 indicates that 沃尼妙林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting 沃尼妙林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 沃尼妙林 has 3 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 沃尼妙林?
The CAS number of 沃尼妙林 is 101312-92-9.
What is the molecular formula of 沃尼妙林?
The molecular formula of 沃尼妙林 is C31H52N2O5S.
What is the molecular weight of 沃尼妙林?
The molecular weight of 沃尼妙林 is 564.36 g/mol.
Where can I buy 沃尼妙林?
You can request a quote for 沃尼妙林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 沃尼妙林?
Yes, KEHONG BIO provides custom synthesis services for 沃尼妙林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.