CI 949
TL;DR: CI 949 (CAS 32496-81-4) is a chemical compound with molecular formula C26H34N10O5 and molecular weight 566.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;5-methoxy-1-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)indole-2-carboxamide
Also Known As: CI-949 ARGINATE, L-Arginine, compd. with 5-methoxy-3-(1-methylethoxy)-1-phenyl-N-1H-tetrazol-5-yl-1H-indole-2-carboxamide (1:1), n5-(diaminomethylidene)-l-ornithine- 5-methoxy-1-phenyl-3-(propan-2-yloxy)-n-(2h-tetrazol-5-yl)-1h-indole-2-carboxamide(1:1), (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 5-methoxy-1-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)indole-2-carboxamide, (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;5-methoxy-1-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)indole-2-carboxamide
| Molecular Formula | C26H34N10O5 |
|---|---|
| Molecular Weight | 566.27 g/mol |
| LogP | 1.6436 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 566.27136 |
| Heavy Atoms | 41 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 32496-81-4 |
|---|---|
| SMILES | CC(C)OC1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C(=O)NC4=NNN=N4.C(C[C@@H](C(=O)O)N)CN=C(N)N |
| InChIKey | OHOCQQJBKBVAFF-VWMHFEHESA-N |
Product Overview
CI 949 (CAS 32496-81-4), with molecular formula C26H34N10O5 and molecular weight 566.27 g/mol. IUPAC: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;5-methoxy-1-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)indole-2-carboxamide.
Chemical Property Profile of CI 949
Property Insights of CI 949
The XLogP value of 1.6436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CI 949. The TPSA of 235.0 Ų indicates high polarity, suggesting CI 949 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CI 949 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CI 949?
The CAS number of CI 949 is 32496-81-4.
What is the molecular formula of CI 949?
The molecular formula of CI 949 is C26H34N10O5.
What is the molecular weight of CI 949?
The molecular weight of CI 949 is 566.27 g/mol.
Where can I buy CI 949?
You can request a quote for CI 949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI 949?
Yes, KEHONG BIO provides custom synthesis services for CI 949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.