20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one
TL;DR: 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one (CAS 96000-11-2) is a chemical compound with molecular formula C21H35NO3 and molecular weight 349.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,7R,10S,11S,14R,15S)-14-[(2S)-1-hydroxypropan-2-yl]-2,6,15-trimethyl-4-oxa-6-azatetracyclo[8.7.0.02,7.011,15]heptadecan-5-one
Also Known As: 20-HMAOP, 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one, 20-Hydroxymethyl-4-methyl-4-aza-2-oxa-5alpha-pregnan-3-one, 20-(hydroxymethyl)-4-methyl-4-aza-2-oxa-5, A-pregnan-3-one
| Molecular Formula | C21H35NO3 |
|---|---|
| Molecular Weight | 349.26 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.2617 |
| Heavy Atoms | 25 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 96000-11-2 |
|---|---|
| SMILES | C[C@H](CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(COC(=O)N4C)C)C |
| InChIKey | VQISOTOPDCGBAH-GRYWWZJOSA-N |
Product Overview
20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one (CAS 96000-11-2), with molecular formula C21H35NO3 and molecular weight 349.26 g/mol. IUPAC: (1S,2R,7R,10S,11S,14R,15S)-14-[(2S)-1-hydroxypropan-2-yl]-2,6,15-trimethyl-4-oxa-6-azatetracyclo[8.7.0.02,7.011,15]heptadecan-5-one.
Chemical Property Profile of 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one
Property Insights of 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one
The XLogP value of 4.6 indicates that 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one has 1 hydrogen bond donor(s) and 3 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 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one?
The CAS number of 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one is 96000-11-2.
What is the molecular formula of 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one?
The molecular formula of 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one is C21H35NO3.
What is the molecular weight of 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one?
The molecular weight of 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one is 349.26 g/mol.
Where can I buy 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one?
You can request a quote for 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 20-(Hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.