Seocalcitol
TL;DR: Seocalcitol (CAS 134404-52-7) is a chemical compound with molecular formula C30H46O3 and molecular weight 454.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: Seocalcitol, seocalcitolum, Seocalcitol;, Seocalcitol [INN:BAN], SEOCALCITOL [MI]
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 6.427 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 812.3984 |
Chemical Identifiers
| CAS Number | 134404-52-7 |
|---|---|
| SMILES | CCC(CC)(/C=C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O |
Product Overview
Seocalcitol (CAS 134404-52-7), with molecular formula C30H46O3 and molecular weight 454.34 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of Seocalcitol
Property Insights of Seocalcitol
The XLogP value of 6.427 indicates that Seocalcitol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Seocalcitol. Following Lipinski's Rule of Five, Seocalcitol 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 Seocalcitol?
The CAS number of Seocalcitol is 134404-52-7.
What is the molecular formula of Seocalcitol?
The molecular formula of Seocalcitol is C30H46O3.
What is the molecular weight of Seocalcitol?
The molecular weight of Seocalcitol is 454.34 g/mol.
Where can I buy Seocalcitol?
You can request a quote for Seocalcitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Seocalcitol?
Yes, KEHONG BIO provides custom synthesis services for Seocalcitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.