Urol (pharmaceutical)
TL;DR: Urol (pharmaceutical) (CAS 97503-03-2) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol
Also Known As: Urol (pharmaceutical), Soyasapogenol F, Soyasapogenol B1, (3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol, (3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicene-3,9-diol
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 97503-03-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CCC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)O)(C)C)C)(C)CO)O |
| InChIKey | FAQHDLWADGCEMS-PLKKNJIASA-N |
Product Overview
Urol (pharmaceutical) (CAS 97503-03-2), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: (3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol.
Chemical Property Profile of Urol (pharmaceutical)
Property Insights of Urol (pharmaceutical)
The XLogP value of 6.7 indicates that Urol (pharmaceutical) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Urol (pharmaceutical). Following Lipinski's Rule of Five, Urol (pharmaceutical) has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urol (pharmaceutical)?
The CAS number of Urol (pharmaceutical) is 97503-03-2.
What is the molecular formula of Urol (pharmaceutical)?
The molecular formula of Urol (pharmaceutical) is C30H50O3.
What is the molecular weight of Urol (pharmaceutical)?
The molecular weight of Urol (pharmaceutical) is 458.38 g/mol.
Where can I buy Urol (pharmaceutical)?
You can request a quote for Urol (pharmaceutical) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urol (pharmaceutical)?
Yes, KEHONG BIO provides custom synthesis services for Urol (pharmaceutical) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.