胆钙化醇
TL;DR: 胆钙化醇 (CAS 67-97-0) 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.
胆钙化醇
3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Also Known As: cholecalciferol, Vitamin D3, VITAMIN D, Vitamin D3-d7, 5,6-trans-Vitamin D3
| Molecular Formula | C27H44O |
|---|---|
| Molecular Weight | 384.34 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.3392 |
| Heavy Atoms | 28 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 67-97-0 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| InChIKey | QYSXJUFSXHHAJI-UHFFFAOYSA-N |
Product Overview
胆钙化醇 (CAS 67-97-0), with molecular formula C27H44O and molecular weight 384.34 g/mol. IUPAC: 3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol.
Chemical Property Profile of 胆钙化醇
Property Insights of 胆钙化醇
The XLogP value of 7.9 indicates that 胆钙化醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 胆钙化醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆钙化醇 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 胆钙化醇?
The CAS number of 胆钙化醇 is 67-97-0.
What is the molecular formula of 胆钙化醇?
The molecular formula of 胆钙化醇 is C27H44O.
What is the molecular weight of 胆钙化醇?
The molecular weight of 胆钙化醇 is 384.34 g/mol.
Where can I buy 胆钙化醇?
You can request a quote for 胆钙化醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆钙化醇?
Yes, KEHONG BIO provides custom synthesis services for 胆钙化醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.