Nelivaptan
TL;DR: Nelivaptan (CAS 352277-03-3) is a chemical compound with molecular formula C30H32ClN3O8S and molecular weight 629.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
Also Known As: Nelivaptan, LatanoprostLactol, (2S,4R)-1-[5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-2-pyrrolidinecarboxamide, 1-[5-Chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4(R)hydroxy-L-proline N,N-dimethylamide, (-)-1-[5-Chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4(R)-hydroxy-L-proline N,N-dimethylamide
| Molecular Formula | C30H32ClN3O8S |
|---|---|
| Molecular Weight | 629.16 g/mol |
| LogP | 2.8683 |
| Topological Polar Surface Area | 125.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 629.15985 |
| Heavy Atoms | 43 |
| Complexity | 1698.3381 |
Chemical Identifiers
| CAS Number | 352277-03-3 |
|---|---|
| SMILES | CN(C)C(=O)[C@@H]1C[C@H](CN1C2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)O |
Product Overview
Nelivaptan (CAS 352277-03-3), with molecular formula C30H32ClN3O8S and molecular weight 629.16 g/mol. IUPAC: (2S,4R)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.
Chemical Property Profile of Nelivaptan
Property Insights of Nelivaptan
The XLogP value of 2.8683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nelivaptan. The TPSA of 125.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Nelivaptan. Following Lipinski's Rule of Five, Nelivaptan has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nelivaptan?
The CAS number of Nelivaptan is 352277-03-3.
What is the molecular formula of Nelivaptan?
The molecular formula of Nelivaptan is C30H32ClN3O8S.
What is the molecular weight of Nelivaptan?
The molecular weight of Nelivaptan is 629.16 g/mol.
Where can I buy Nelivaptan?
You can request a quote for Nelivaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nelivaptan?
Yes, KEHONG BIO provides custom synthesis services for Nelivaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.