Dihydrotomatidine B
TL;DR: Dihydrotomatidine B (CAS 1449-16-7) is a chemical compound with molecular formula C27H47NO2 and molecular weight 417.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Also Known As: DIHYDROTOMATIDINE B, Dihydrotomatidine, DIHYDROTOMATODINE A, TOMATIDINE B, DIHYDRO-, TOMATIDINE, DIHYDRO-
| Molecular Formula | C27H47NO2 |
|---|---|
| Molecular Weight | 417.36 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.3607 |
| Heavy Atoms | 30 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 1449-16-7 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](NC1)[C@@H](C)[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O |
| InChIKey | PNCADIYJKRZFGU-HRRTYWNUSA-N |
Product Overview
Dihydrotomatidine B (CAS 1449-16-7), with molecular formula C27H47NO2 and molecular weight 417.36 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol.
Chemical Property Profile of Dihydrotomatidine B
Property Insights of Dihydrotomatidine B
The XLogP value of 6.0 indicates that Dihydrotomatidine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, Dihydrotomatidine B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrotomatidine B 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 Dihydrotomatidine B?
The CAS number of Dihydrotomatidine B is 1449-16-7.
What is the molecular formula of Dihydrotomatidine B?
The molecular formula of Dihydrotomatidine B is C27H47NO2.
What is the molecular weight of Dihydrotomatidine B?
The molecular weight of Dihydrotomatidine B is 417.36 g/mol.
Where can I buy Dihydrotomatidine B?
You can request a quote for Dihydrotomatidine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrotomatidine B?
Yes, KEHONG BIO provides custom synthesis services for Dihydrotomatidine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.