B174_SIGMA
TL;DR: B174_SIGMA (CAS 159013-54-4) is a chemical compound with molecular formula C27H31N5O3 and molecular weight 473.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Also Known As: B174_SIGMA, BIBP 3226, BIBP 3435, N-(4-Hydroxybenzyl)-N2-(diphenylacetyl)-L-argininamide, (2S)-5-carbamimidamido-2-(2,2-diphenylacetamido)-N-[(4-hydroxyphenyl)methyl]pentanamide
| Molecular Formula | C27H31N5O3 |
|---|---|
| Molecular Weight | 473.24 g/mol |
| LogP | 2.3789 |
| Topological Polar Surface Area | 142.83 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 473.24268 |
| Heavy Atoms | 35 |
| Complexity | 1075.0732 |
Chemical Identifiers
| CAS Number | 159013-54-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)O |
Product Overview
B174_SIGMA (CAS 159013-54-4), with molecular formula C27H31N5O3 and molecular weight 473.24 g/mol. IUPAC: (2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide.
Chemical Property Profile of B174_SIGMA
Property Insights of B174_SIGMA
The XLogP value of 2.3789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for B174_SIGMA. The TPSA of 142.83 Ų indicates high polarity, suggesting B174_SIGMA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, B174_SIGMA has 5 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 B174_SIGMA?
The CAS number of B174_SIGMA is 159013-54-4.
What is the molecular formula of B174_SIGMA?
The molecular formula of B174_SIGMA is C27H31N5O3.
What is the molecular weight of B174_SIGMA?
The molecular weight of B174_SIGMA is 473.24 g/mol.
Where can I buy B174_SIGMA?
You can request a quote for B174_SIGMA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B174_SIGMA?
Yes, KEHONG BIO provides custom synthesis services for B174_SIGMA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.