3-氧代甘遂-7,24-二烯-21-酸
TL;DR: 3-氧代甘遂-7,24-二烯-21-酸 (CAS 82464-35-5) 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.
3-氧代甘遂-7,24-二烯-21-酸
(2S)-6-methyl-2-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
Also Known As: 3-oxotirucalla-7,24-dien-21-oic acid, HY-N1865, 3-Oxotirucalla-7,24-dien-21-Oate, 3-Oxolanosta-7,24-dien-21-oic acid, 3-Oxotirucalla-7,24-dien-21-oicacid
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 82464-35-5 |
|---|---|
| SMILES | CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C |
| InChIKey | PYHNHGARAGBCRY-ZYHXIRFQSA-N |
Product Overview
3-氧代甘遂-7,24-二烯-21-酸 (CAS 82464-35-5), with molecular formula C30H46O3 and molecular weight 454.34 g/mol. IUPAC: (2S)-6-methyl-2-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid.
Chemical Property Profile of 3-氧代甘遂-7,24-二烯-21-酸
Property Insights of 3-氧代甘遂-7,24-二烯-21-酸
The XLogP value of 7.4 indicates that 3-氧代甘遂-7,24-二烯-21-酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-氧代甘遂-7,24-二烯-21-酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代甘遂-7,24-二烯-21-酸 has 1 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 3-氧代甘遂-7,24-二烯-21-酸?
The CAS number of 3-氧代甘遂-7,24-二烯-21-酸 is 82464-35-5.
What is the molecular formula of 3-氧代甘遂-7,24-二烯-21-酸?
The molecular formula of 3-氧代甘遂-7,24-二烯-21-酸 is C30H46O3.
What is the molecular weight of 3-氧代甘遂-7,24-二烯-21-酸?
The molecular weight of 3-氧代甘遂-7,24-二烯-21-酸 is 454.34 g/mol.
Where can I buy 3-氧代甘遂-7,24-二烯-21-酸?
You can request a quote for 3-氧代甘遂-7,24-二烯-21-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代甘遂-7,24-二烯-21-酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代甘遂-7,24-二烯-21-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.