CI 992
TL;DR: CI 992 (CAS 135704-06-2) is a chemical compound with molecular formula C33H52N6O7S2 and molecular weight 708.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
Also Known As: CI 992, (2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide, (S)-3-(2-aminothiazol-4-yl)-2-(((2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino)-N-((S)-2-(morpholine-4-sulfonamido)-3-phenylpropanoyl)propanamide, (2S)-2-{[(2S,3R,4S)-1-Cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-3-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-N-[N-(morpholine-4-sulfonyl)-L-phenylalanyl]propanimidic acid, 2-[(1-Cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino]-3-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-N-[N-(morpholine-4-sulfonyl)phenylalanyl]propanimidic acid
| Molecular Formula | C33H52N6O7S2 |
|---|---|
| Molecular Weight | 708.33 g/mol |
| LogP | 1.7536 |
| Topological Polar Surface Area | 196.21 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 708.33386 |
| Heavy Atoms | 48 |
| Complexity | 1398.0953 |
Chemical Identifiers
| CAS Number | 135704-06-2 |
|---|---|
| SMILES | CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N[C@@H](CC2=CSC(=N2)N)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4)O)O |
Product Overview
CI 992 (CAS 135704-06-2), with molecular formula C33H52N6O7S2 and molecular weight 708.33 g/mol. IUPAC: (2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide.
Chemical Property Profile of CI 992
Property Insights of CI 992
The XLogP value of 1.7536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CI 992. The TPSA of 196.21 Ų indicates high polarity, suggesting CI 992 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CI 992 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CI 992?
The CAS number of CI 992 is 135704-06-2.
What is the molecular formula of CI 992?
The molecular formula of CI 992 is C33H52N6O7S2.
What is the molecular weight of CI 992?
The molecular weight of CI 992 is 708.33 g/mol.
Where can I buy CI 992?
You can request a quote for CI 992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI 992?
Yes, KEHONG BIO provides custom synthesis services for CI 992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.