Pneumocort
TL;DR: Pneumocort (CAS 137571-30-3) is a chemical compound with molecular formula C29H48O7 and molecular weight 508.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,5R,6R,7R,8R,9S,10R,13R,14R,17R)-3,4,6,7-tetrahydroxy-17-[(1S)-1-[(2S,4S)-6-hydroxy-4-propan-2-yloxan-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one
Also Known As: Contignasterol, Pneumocort, Apanol, Bispan, Tiesol
| Molecular Formula | C29H48O7 |
|---|---|
| Molecular Weight | 508.34 g/mol |
| LogP | 2.5033 |
| Topological Polar Surface Area | 127.45 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 508.34 |
| Heavy Atoms | 36 |
| Complexity | 847.4793 |
Chemical Identifiers
| CAS Number | 137571-30-3 |
|---|---|
| SMILES | C[C@H]([C@@H]1C[C@@H](CC(O1)O)C(C)C)[C@H]2CC(=O)[C@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]([C@@H]([C@@H]5[C@@]4(CC[C@H]([C@@H]5O)O)C)O)O)C |
Product Overview
Pneumocort (CAS 137571-30-3), with molecular formula C29H48O7 and molecular weight 508.34 g/mol. IUPAC: (3R,4R,5R,6R,7R,8R,9S,10R,13R,14R,17R)-3,4,6,7-tetrahydroxy-17-[(1S)-1-[(2S,4S)-6-hydroxy-4-propan-2-yloxan-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one.
Chemical Property Profile of Pneumocort
Property Insights of Pneumocort
The XLogP value of 2.5033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pneumocort. The TPSA of 127.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Pneumocort. Following Lipinski's Rule of Five, Pneumocort has 5 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 Pneumocort?
The CAS number of Pneumocort is 137571-30-3.
What is the molecular formula of Pneumocort?
The molecular formula of Pneumocort is C29H48O7.
What is the molecular weight of Pneumocort?
The molecular weight of Pneumocort is 508.34 g/mol.
Where can I buy Pneumocort?
You can request a quote for Pneumocort directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pneumocort?
Yes, KEHONG BIO provides custom synthesis services for Pneumocort and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.