Hypoestestatin 1
TL;DR: Hypoestestatin 1 (CAS 5382-01-4) is a chemical compound with molecular formula C27H29NO3 and molecular weight 415.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(22S)-4,5,10-trimethoxy-18-azahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(14),2,4,6,8(13),9,11,16(24)-octaene
Also Known As: Hypoestestatin 1, (-)-Hypoestestatin 1, KST-1A0122, J3.051.053D, (S)-9,10,12,13,14,14a,15,16-Octahydro-2,3,6-trimethoxyphenanthro(9,10-g)pyrrolo(1,2-b)isoquinoline
| Molecular Formula | C27H29NO3 |
|---|---|
| Molecular Weight | 415.21 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.21475 |
| Heavy Atoms | 31 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 5382-01-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(CC4=C(C3)CN5CCC[C@H]5C4)C6=CC(=C(C=C62)OC)OC |
| InChIKey | ABHZNXWGGBGWCA-SFHVURJKSA-N |
Product Overview
Hypoestestatin 1 (CAS 5382-01-4), with molecular formula C27H29NO3 and molecular weight 415.21 g/mol. IUPAC: (22S)-4,5,10-trimethoxy-18-azahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(14),2,4,6,8(13),9,11,16(24)-octaene.
Chemical Property Profile of Hypoestestatin 1
Property Insights of Hypoestestatin 1
The XLogP value of 4.9 indicates that Hypoestestatin 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, Hypoestestatin 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hypoestestatin 1 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hypoestestatin 1?
The CAS number of Hypoestestatin 1 is 5382-01-4.
What is the molecular formula of Hypoestestatin 1?
The molecular formula of Hypoestestatin 1 is C27H29NO3.
What is the molecular weight of Hypoestestatin 1?
The molecular weight of Hypoestestatin 1 is 415.21 g/mol.
Where can I buy Hypoestestatin 1?
You can request a quote for Hypoestestatin 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hypoestestatin 1?
Yes, KEHONG BIO provides custom synthesis services for Hypoestestatin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.