前维生素D3
TL;DR: 前维生素D3 (CAS 1173-13-3) is a chemical compound with molecular formula C27H44O and molecular weight 384.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
前维生素D3
3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
Also Known As: previtamin D3, Tachysterol 3, tachysterol3, Previtamin D(3), Cholecalciferol Impurity 13
| Molecular Formula | C27H44O |
|---|---|
| Molecular Weight | 384.34 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.3392 |
| Heavy Atoms | 28 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 1173-13-3 |
|---|---|
| SMILES | CC1=C(CC(CC1)O)C=CC2=CCCC3(C2CCC3C(C)CCCC(C)C)C |
| InChIKey | YUGCAAVRZWBXEQ-UHFFFAOYSA-N |
Product Overview
前维生素D3 (CAS 1173-13-3), with molecular formula C27H44O and molecular weight 384.34 g/mol. IUPAC: 3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol.
Chemical Property Profile of 前维生素D3
Property Insights of 前维生素D3
The XLogP value of 7.7 indicates that 前维生素D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 前维生素D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 前维生素D3 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 前维生素D3?
The CAS number of 前维生素D3 is 1173-13-3.
What is the molecular formula of 前维生素D3?
The molecular formula of 前维生素D3 is C27H44O.
What is the molecular weight of 前维生素D3?
The molecular weight of 前维生素D3 is 384.34 g/mol.
Where can I buy 前维生素D3?
You can request a quote for 前维生素D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 前维生素D3?
Yes, KEHONG BIO provides custom synthesis services for 前维生素D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.