35-Aminobacteriohopane-30,31,32,33,34-pentol
TL;DR: 35-Aminobacteriohopane-30,31,32,33,34-pentol (CAS 6338-04-1) is a chemical compound with molecular formula C35H63NO5 and molecular weight 577.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
Also Known As: ABHP, aminobacteriohopanepentol, 35-Aminobacteriohopane-30,31,32,33,34-pentol, KST-1A0246, (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
| Molecular Formula | C35H63NO5 |
|---|---|
| Molecular Weight | 577.47 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 577.47064 |
| Heavy Atoms | 41 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 6338-04-1 |
|---|---|
| SMILES | C[C@@H]([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)[C@H]([C@H]([C@H]([C@H]([C@H](CN)O)O)O)O)O |
| InChIKey | NSCULDDFRWOMLE-IYFNNQAXSA-N |
Product Overview
35-Aminobacteriohopane-30,31,32,33,34-pentol (CAS 6338-04-1), with molecular formula C35H63NO5 and molecular weight 577.47 g/mol. IUPAC: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol.
Chemical Property Profile of 35-Aminobacteriohopane-30,31,32,33,34-pentol
Property Insights of 35-Aminobacteriohopane-30,31,32,33,34-pentol
The XLogP value of 6.9 indicates that 35-Aminobacteriohopane-30,31,32,33,34-pentol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 35-Aminobacteriohopane-30,31,32,33,34-pentol. Following Lipinski's Rule of Five, 35-Aminobacteriohopane-30,31,32,33,34-pentol has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 35-Aminobacteriohopane-30,31,32,33,34-pentol?
The CAS number of 35-Aminobacteriohopane-30,31,32,33,34-pentol is 6338-04-1.
What is the molecular formula of 35-Aminobacteriohopane-30,31,32,33,34-pentol?
The molecular formula of 35-Aminobacteriohopane-30,31,32,33,34-pentol is C35H63NO5.
What is the molecular weight of 35-Aminobacteriohopane-30,31,32,33,34-pentol?
The molecular weight of 35-Aminobacteriohopane-30,31,32,33,34-pentol is 577.47 g/mol.
Where can I buy 35-Aminobacteriohopane-30,31,32,33,34-pentol?
You can request a quote for 35-Aminobacteriohopane-30,31,32,33,34-pentol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 35-Aminobacteriohopane-30,31,32,33,34-pentol?
Yes, KEHONG BIO provides custom synthesis services for 35-Aminobacteriohopane-30,31,32,33,34-pentol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.