甲苯-3,4-二硫酚
TL;DR: 甲苯-3,4-二硫酚 (CAS 496-74-2) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲苯-3,4-二硫酚
5-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Bufogenin B, Desacetylbufotalin, 16-beta-Hydroxybufalin, KST-1A5046, (3
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 496-74-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=COC(=O)C=C5)O)O)C)O |
| InChIKey | MWFCMSURKYLINK-DMQWCLGJSA-N |
Product Overview
甲苯-3,4-二硫酚 (CAS 496-74-2), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: 5-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of 甲苯-3,4-二硫酚
Property Insights of 甲苯-3,4-二硫酚
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲苯-3,4-二硫酚. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲苯-3,4-二硫酚. Following Lipinski's Rule of Five, 甲苯-3,4-二硫酚 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 甲苯-3,4-二硫酚?
The CAS number of 甲苯-3,4-二硫酚 is 496-74-2.
What is the molecular formula of 甲苯-3,4-二硫酚?
The molecular formula of 甲苯-3,4-二硫酚 is C24H34O5.
What is the molecular weight of 甲苯-3,4-二硫酚?
The molecular weight of 甲苯-3,4-二硫酚 is 402.24 g/mol.
Where can I buy 甲苯-3,4-二硫酚?
You can request a quote for 甲苯-3,4-二硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲苯-3,4-二硫酚?
Yes, KEHONG BIO provides custom synthesis services for 甲苯-3,4-二硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.