藿烷
TL;DR: 藿烷 (CAS 471-62-5) is a chemical compound with molecular formula C30H52 and molecular weight 412.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
藿烷
(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Also Known As: Hopane, A'-Neogammacerane, A -Neogammacerane, hopane, (21beta)-isomer, hopane, (17alpha)-isomer
| Molecular Formula | C30H52 |
|---|---|
| Molecular Weight | 412.41 g/mol |
| LogP | 11.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.4069 |
| Heavy Atoms | 30 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 471-62-5 |
|---|---|
| SMILES | CC(C)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C |
| InChIKey | ZRLNBWWGLOPJIC-PYQRSULMSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
藿烷 (CAS 471-62-5), with molecular formula C30H52 and molecular weight 412.41 g/mol. IUPAC: (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene.
Chemical Property Profile of 藿烷
Property Insights of 藿烷
The XLogP value of 11.5 indicates that 藿烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 藿烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 藿烷 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 藿烷?
The CAS number of 藿烷 is 471-62-5.
What is the molecular formula of 藿烷?
The molecular formula of 藿烷 is C30H52.
What is the molecular weight of 藿烷?
The molecular weight of 藿烷 is 412.41 g/mol.
Where can I buy 藿烷?
You can request a quote for 藿烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 藿烷?
Yes, KEHONG BIO provides custom synthesis services for 藿烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.